Molecule

ID:129312

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂ClNO₂
Molecular Mass
307.81508
Exact Mass
307.13390663
Charge
0
InChI
InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12?,13-,15?,16+/m1/s1
InChIKey
VMITZEMDDZVHBZ-FYAIKVRKSA-N
Canonic Smiles
COC(=O)[C@@H]1C2CCC(N2C)C[C@@H]1c1ccc(c(c1)C)Cl
Isomeric Smiles
Cc1c(ccc(c1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.34150016
LogD (pH = 7.4)
1.8336453
Log P
3.6287024
Molar Refractivity
84.3561
Polarizability
33.202744
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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