Molecule

ID:37720

General Information
Structure
Molecular Formula
C₇H₁₂ClNO
Molecular Mass
161.62928
Exact Mass
161.06074169
Charge
0
InChI
InChI=1S/C7H12ClNO/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3
InChIKey
QGMQKFMNYCEBSO-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCCC1)Cl
Isomeric Smiles
C(=O)(N1CCCC1)C(Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9289693
LogD (pH = 7.4)
0.9289693
Log P
0.9289693
Molar Refractivity
41.0474
Polarizability
15.967992
Polar Surface Area
20.31
Rotatable Bonds
1
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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