Molecule

ID:45987

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10/h1-4,10,12H,5-7H2
InChIKey
JZNJIWGJZHPTBV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)COC1CNC1
Isomeric Smiles
N1CC(OCc2ccc(Cl)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.97773176
LogD (pH = 7.4)
0.5952429
Log P
1.976906
Molar Refractivity
52.8555
Polarizability
21.03998
Polar Surface Area
21.26
Rotatable Bonds
3
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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