Molecule
ID:53408
General Information
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-6-9-2-4-10(6)3-1-8-5/h1-4H
InChIKey
PREWHWRWNMLCNH-UHFFFAOYSA-N
Canonic Smiles
Clc1nccn2c1ncc2
Isomeric Smiles
c12n(ccnc1Cl)ccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.36531776
LogD (pH = 7.4)
0.36608902
Log P
0.36609885
Molar Refractivity
39.6456
Polarizability
14.405509
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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