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Search term: OC(=O)c1cccc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)picolinic acid | C23H18N4O2S

6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)picolinic acid

  • Molecular FormulaC23H18N4O2S
  • Average mass414.480 Da
  • Monoisotopic mass414.115051 Da
  • ChemSpider ID28542166

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyridinecarboxylic acid, 6-[(8E)-8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]- [ACD/Index Name]
6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)picolinic acid
6-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]pyridine-2-Carboxylic Acid
6-[(8E)-8-(1,3-Benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalenyl]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
6-[(8E)-8-(1,3-Benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalinyl]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
Acide 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tétrahydro-2-naphtalényl]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 677.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.6±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 33.23
ACD/KOC (pH 5.5): 122.94
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 8.51
Polar Surface Area: 116 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

Click to predict properties on the Chemicalize site


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