Molecule

ID:27112

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O
Molecular Mass
100.11912
Exact Mass
100.06366289
Charge
0
InChI
InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7)
InChIKey
JFYKIEHOOZWARC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC1
Isomeric Smiles
C1(C(=O)NN)CC1
Calculated Properties
JChem
Acid pKa
12.968735
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5494831
LogD (pH = 7.4)
-0.54700077
Log P
-0.5469678
Molar Refractivity
26.3492
Polarizability
10.032818
Polar Surface Area
55.12
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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