Molecule

ID:135110

General Information
Structure
MolImage
Molecular Formula
C₂H₇ClN₂O
Molecular Mass
113.52225263
Exact Mass
113.02211516
Charge
0
InChI
InChI=1S/C2H6N2O.ClH/c1-5-2(3)4;/h1H3,(H3,3,4);1H/i2+1,3+1,4+1;
InChIKey
MUDVUWOLBJRUGF-ZNYUTZBJSA-N
Canonic Smiles
CO[13C](=[15NH])[15NH2].Cl
Isomeric Smiles
CO[13C](=[15NH])[15NH2].Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.777157
LogD (pH = 7.4)
-2.2703793
Log P
-0.3742357
Molar Refractivity
28.9525
Polarizability
7.0190883
Polar Surface Area
59.1
Rotatable Bonds
1
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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