Molecule

ID:44991

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c1-11-4-10-6-2-5(8)3-9-7(6)11/h2-4H,1H3
InChIKey
SUSPFTOQJSTCTQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1)ncn2C
Isomeric Smiles
c1(cnc2c(c1)ncn2C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2365874
LogD (pH = 7.4)
1.237009
Log P
1.2370144
Molar Refractivity
42.4657
Polarizability
16.737825
Polar Surface Area
30.71
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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