Molecule
ID:54830
General Information
Molecular Formula
C₂H₇ClN₂O
Molecular Mass
110.54278
Exact Mass
110.02469053
Charge
0
InChI
InChI=1S/C2H6N2O.ClH/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H
InChIKey
YFDYEHIAUKXEDK-UHFFFAOYSA-N
Canonic Smiles
C/C(=N\O)/N.Cl
Isomeric Smiles
O/N=C(/N)\C.Cl
Calculated Properties
JChem
Acid pKa
12.550309
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6102966
LogD (pH = 7.4)
-0.9822668
Log P
-0.9636419
Molar Refractivity
18.4097
Polarizability
7.0190883
Polar Surface Area
58.61
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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