Molecule

ID:51708

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-1-2-6-8-3-4-10(6)9-5/h1-4H
InChIKey
MPZDNIJHHXRTIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)ccn2
Isomeric Smiles
c12ccc(nn1ccn2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4727149
LogD (pH = 7.4)
1.4771377
Log P
1.4771944
Molar Refractivity
49.6397
Polarizability
14.376621
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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