Molecule

ID:61794

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)
InChIKey
HJOQGBBHVRYTDX-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(n1)[nH]cc2
Isomeric Smiles
c1(nc2c(cn1)cc[nH]2)Cl
Calculated Properties
JChem
Acid pKa
14.140667
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3880321
LogD (pH = 7.4)
1.4240295
Log P
1.4245099
Molar Refractivity
39.26
Polarizability
15.094468
Polar Surface Area
41.57
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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