Molecule

ID:69632

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O
Molecular Mass
86.09254
Exact Mass
86.04801282
Charge
0
InChI
InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey
YAMHXTCMCPHKLN-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN1
Isomeric Smiles
C1(=O)NCCN1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.09
LogD (pH = 5.5)
-1.09
Log P
-1.09
Rotatable Bonds
0
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
13.80
Polar Surface Area
41.13
Polarizability
8.10
Molar Refractivity
20.97
LOG S
0.63
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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