Molecule

ID:57175

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c8-4-6-5-11-3-1-2-9-7(11)10-6/h1-3,5H,4H2
InChIKey
MUPOENNBNNSJQP-UHFFFAOYSA-N
Canonic Smiles
ClCc1cn2c(n1)nccc2
Isomeric Smiles
c1ccn2c(nc(CCl)c2)n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.47484878
LogD (pH = 7.4)
0.47599426
Log P
0.4760089
Molar Refractivity
44.1343
Polarizability
16.100174
Polar Surface Area
30.19
Rotatable Bonds
1
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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