Molecule

ID:70935

General Information
Structure
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChIKey
XUZCJDBXXYJXDD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)cc(c1)Cl
Isomeric Smiles
Nc1cc(cc(c1)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2540417
LogD (pH = 7.4)
2.2616875
Log P
2.261786
Molar Refractivity
40.6044
Polarizability
15.093442
Polar Surface Area
26.02
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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