Molecule

ID:64438

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c1-5-9-10-7-6(8)3-2-4-11(5)7/h2-4H,1H3
InChIKey
IYHIDEHLMBFMAW-UHFFFAOYSA-N
Canonic Smiles
Clc1cccn2c1nnc2C
Isomeric Smiles
c12n(c(nn1)C)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5255823
LogD (pH = 7.4)
0.5261993
Log P
0.52620715
Molar Refractivity
45.3981
Polarizability
16.108852
Polar Surface Area
30.19
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
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Molecule Details
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References
Bioactivity
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