Molecule

ID:88769

General Information
Structure
MolImage
Molecular Formula
CH₅ClN₂
Molecular Mass
80.5168
Exact Mass
80.01412585
Charge
0
InChI
InChI=1S/CH4N2.ClH/c2-1-3;/h1H,(H3,2,3);1H
InChIKey
NMVVJCLUYUWBSZ-UHFFFAOYSA-N
Canonic Smiles
NC=N.Cl
Isomeric Smiles
N=CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4245942
LogD (pH = 7.4)
-3.4227586
Log P
-1.0091588
Molar Refractivity
22.5695
Polarizability
4.447926
Polar Surface Area
49.87
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
References
Bioactivity
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