Molecule

ID:78428

General Information
Structure
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKey
FGUVEKFEQISNDB-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)C)Cl
Isomeric Smiles
n1c(c(cc(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6064825
LogD (pH = 7.4)
2.606636
Log P
2.606638
Molar Refractivity
39.8496
Polarizability
14.881195
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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