Molecule

ID:69830

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
InChIKey
COVGXNSRDOYAJD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(c1)Cl
Isomeric Smiles
c1(cc(cc(n1)C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2239614
LogD (pH = 7.4)
2.2245789
Log P
2.2245867
Molar Refractivity
39.3999
Polarizability
14.884448
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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