Molecule

ID:131025

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9;/h2-3,5,7H,4,6,11H2,1H3;1H
InChIKey
XLAOKZDOZHZWBK-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc2c(c1)OCO2)N.Cl
Isomeric Smiles
CC(Cc1ccc2c(c1)OCO2)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5914439
LogD (pH = 7.4)
-1.0455191
Log P
1.4274839
Molar Refractivity
49.4721
Polarizability
19.761404
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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