Molecule
ID:64505
General Information
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-5-7-2-1-4-8-3-9-10(4)5/h1-3H
InChIKey
DMBOZQIEVLAEOP-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2n1ncn2
Isomeric Smiles
n12c(nccc1ncn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.88025355
LogD (pH = 7.4)
0.8804646
Log P
0.8804673
Molar Refractivity
47.9736
Polarizability
13.587813
Polar Surface Area
43.08
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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