Molecule

ID:86984

General Information
Structure
MolImage
Molecular Formula
C₂H₇ClN₂
Molecular Mass
94.54338
Exact Mass
94.02977591
Charge
0
InChI
InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKey
WCQOBLXWLRDEQA-UHFFFAOYSA-N
Canonic Smiles
CC(=N)N.Cl
Isomeric Smiles
N=C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3759153
LogD (pH = 7.4)
-3.37563
Log P
-0.9604601
Molar Refractivity
27.06
Polarizability
6.279968
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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