Molecule

ID:68285

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-5-8-3-9-10(5)2-1-7-4/h1-3H
InChIKey
VZMFNXVRYOJRMK-UHFFFAOYSA-N
Canonic Smiles
Clc1nccn2c1ncn2
Isomeric Smiles
c12c(nccn1ncn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.77135634
LogD (pH = 7.4)
0.7713565
Log P
0.7713565
Molar Refractivity
48.4609
Polarizability
13.579967
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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