Molecule

ID:91359

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO₂
Molecular Mass
187.6235
Exact Mass
187.04000625
Charge
0
InChI
InChI=1S/C8H9NO2.ClH/c9-6-2-1-3-7-8(6)11-5-4-10-7;/h1-3H,4-5,9H2;1H
InChIKey
WBCBWPNJOUYRGW-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1OCCO2.Cl
Isomeric Smiles
O1c2c(c(ccc2)N)OCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6457511
LogD (pH = 7.4)
0.6573031
Log P
0.6574524
Molar Refractivity
41.7158
Polarizability
15.783819
Polar Surface Area
44.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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