Molecule

ID:90265

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClN
Molecular Mass
137.56636
Exact Mass
137.00322681
Charge
0
InChI
InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
WBUOVKBZJOIOAE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Cl
Isomeric Smiles
N#Cc1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4333866
LogD (pH = 7.4)
2.4333866
Log P
2.4333866
Molar Refractivity
36.5844
Polarizability
14.022968
Polar Surface Area
23.79
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
References
Bioactivity
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