Molecule

ID:44721

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2
InChIKey
FVPGJXXACUQQGV-UHFFFAOYSA-N
Canonic Smiles
ClCCc1ccccn1
Isomeric Smiles
n1c(CCCl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.415974
LogD (pH = 7.4)
1.6570524
Log P
1.6613001
Molar Refractivity
37.9452
Polarizability
14.850154
Polar Surface Area
12.89
Rotatable Bonds
2
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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