Molecule

ID:68293

General Information
Structure
Molecular Formula
C₇H₄ClN
Molecular Mass
137.56636
Exact Mass
137.00322681
Charge
0
InChI
InChI=1S/C7H4ClN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H
InChIKey
DLEWWBKXDRBGRF-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccnc(c1)Cl
Isomeric Smiles
c1(cc(ccn1)C#C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7306216
LogD (pH = 7.4)
1.7306304
Log P
1.7306305
Molar Refractivity
34.9395
Polarizability
13.935093
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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