Molecule

ID:84518

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN₃
Molecular Mass
141.55836
Exact Mass
141.00937482
Charge
0
InChI
InChI=1S/C5H4ClN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3
InChIKey
VCGBVTFJVGRBCJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nn(cc1Cl)C
Isomeric Smiles
n1c(c(cn1C)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2470968
LogD (pH = 7.4)
1.247097
Log P
1.247097
Molar Refractivity
45.1158
Polarizability
12.730246
Polar Surface Area
41.61
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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