Molecule

ID:70255

General Information
Structure
MolImage
Molecular Formula
C₂H₅ClN₂
Molecular Mass
92.5275
Exact Mass
92.01412585
Charge
0
InChI
InChI=1S/C2H4N2.ClH/c3-1-2-4;/h1,3H2;1H
InChIKey
XFKYKTBPRBZDFG-UHFFFAOYSA-N
Canonic Smiles
NCC#N.Cl
Isomeric Smiles
C(#N)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0293362
LogD (pH = 7.4)
-1.1300104
Log P
-1.0895267
Molar Refractivity
14.9827
Polarizability
5.788656
Polar Surface Area
49.81
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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