Molecule

ID:87493

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-6-2-1-4(9)5(3-8)10-6/h1-2H,9H2
InChIKey
GGQNLFCQZACXET-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)ccc1N
Isomeric Smiles
n1c(c(ccc1Cl)N)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9928158
LogD (pH = 7.4)
0.9928158
Log P
0.9928158
Molar Refractivity
39.8172
Polarizability
14.3736725
Polar Surface Area
62.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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