Molecule

ID:90587

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-2-1-3-10-5(4)7-8-9-10/h1-3H
InChIKey
WGGNMQVGYLFOLB-UHFFFAOYSA-N
Canonic Smiles
Clc1cccn2c1nnn2
Isomeric Smiles
n12c(nnn1)c(ccc2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4069772
LogD (pH = 7.4)
1.4069773
Log P
1.4069773
Molar Refractivity
48.9556
Polarizability
13.546778
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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