Molecule

ID:37969

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNO
Molecular Mass
131.56024
Exact Mass
131.0137915
Charge
0
InChI
InChI=1S/C5H6ClNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
InChIKey
ZWBJJNWJUXXFNP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(on1)CCl
Isomeric Smiles
n1oc(cc1C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9764002
LogD (pH = 7.4)
0.97640455
Log P
0.9764046
Molar Refractivity
31.8359
Polarizability
11.820081
Polar Surface Area
26.03
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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