Molecule

ID:90728

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-3-9-6-8-1-2-10(6)4-5/h1-4H
InChIKey
RFCCGIKVKLWJRA-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2n(c1)ccn2
Isomeric Smiles
n12c(ncc1)ncc(c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.40582252
LogD (pH = 7.4)
0.4112696
Log P
0.41133958
Molar Refractivity
39.5944
Polarizability
14.342952
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
No Data Available
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Molecule Details
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References
Bioactivity
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