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Search term: ZPUCINDJVBIVPJ-BJUDXGSMEX
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Inherent Properties, Identifiers and References
ChemSpider ID: 397131
Empirical Formula: C1611CH21NO4
Molecular Weight: 302.3537
Nominal Mass: 302 Da
Average Mass: 302.3537 Da
Monoisotopic Mass: 302.158491 Da
Systematic Name: methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxyl​ate
SMILES: CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC
InChI: InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16​(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/i1-1
InChIKey: ZPUCINDJVBIVPJ-BJUDXGSMEX
Std. InChI: InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-1​6(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/i1-1
Std. InChIKey: ZPUCINDJVBIVPJ-BJUDXGSMSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: #H bond donors:
#Freely Rotating Bonds: Polar Surface Area: 2
Index of Refraction: 1.567 Molar Refractivity: 81.1 cm3
Molar Volume: 248 cm3 Polarizability: 32.15 10-24cm3
Surface Tension: 48.4 dyne/cm Density: 1.22 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C