Molecule

ID:70938

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
InChIKey
PFQYGHGKTNHYRQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(n1)C
Isomeric Smiles
c1(cccc(n1)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4704834
LogD (pH = 7.4)
1.5544714
Log P
1.5556575
Molar Refractivity
37.8373
Polarizability
14.84967
Polar Surface Area
12.89
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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