Molecule

ID:24625

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
InChIKey
UEBFLTZXUXZPJO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nccn1C
Isomeric Smiles
c1(n(ccn1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4344916
LogD (pH = 7.4)
0.45689717
Log P
0.45719188
Molar Refractivity
29.9575
Polarizability
10.834149
Polar Surface Area
34.89
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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