Molecule

ID:67222

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₂O
Molecular Mass
134.56418
Exact Mass
134.02469053
Charge
0
InChI
InChI=1S/C4H6N2O.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1,5H2;1H
InChIKey
GWGCSOXRJFLPEH-UHFFFAOYSA-N
Canonic Smiles
NCc1cnco1.Cl
Isomeric Smiles
o1cncc1CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2465565
LogD (pH = 7.4)
-1.5659714
Log P
-1.0390933
Molar Refractivity
25.1183
Polarizability
9.694477
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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