ChemSpider 2D Image | P-95-12113 | C23H25FN2O5

P-95-12113

  • Molecular FormulaC23H25FN2O5
  • Average mass428.453 Da
  • Monoisotopic mass428.174744 Da
  • ChemSpider ID29790258

More details:

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

4-{3-[4-(6-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxybenzoic acid [ACD/IUPAC Name]
475110-48-6 [RN]
Acide 4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]propoxy}-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy- [ACD/Index Name]
Iloperidone metabolite P95
P-95-12113
1346601-35-1 [RN]
4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-benzoic acid
4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DV65CD1JA2 [DBID]
UNII:DV65CD1JA2 [DBID]
UNII-DV65CD1JA2 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.4±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 10.92
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 10.76
Polar Surface Area: 85 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site


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