Molecule

ID:64439

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-2-1-3-10-4-8-9-6(5)10/h1-4H
InChIKey
OOHXKDTZOJELHU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccn2c1nnc2
Isomeric Smiles
c12n(cnn1)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4029746
LogD (pH = 7.4)
0.40314034
Log P
0.40314245
Molar Refractivity
40.9574
Polarizability
14.357736
Polar Surface Area
30.19
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
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References
Bioactivity
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