Molecule

ID:13077

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
InChIKey
OUNXXBYNOUBNPF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)cnn2
Isomeric Smiles
c1(ccc2n(n1)cnn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5166962
LogD (pH = 7.4)
0.5167422
Log P
0.5167428
Molar Refractivity
49.8559
Polarizability
13.563634
Polar Surface Area
43.08
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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