Molecule

ID:43253

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c1-8-7-3-2-6(5-10)4-9-7/h2-5H,1H3,(H,8,9)
InChIKey
JXCZNHSXCGRJGC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)NC
Isomeric Smiles
n1c(NC)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30011675
LogD (pH = 7.4)
0.5313052
Log P
0.5353114
Molar Refractivity
40.9924
Polarizability
14.308646
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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