Molecule

ID:78889

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c11-7-6-9-10-8-4-2-1-3-5-8/h1-7,10H
InChIKey
YJOTYSZYWLJWBH-UHFFFAOYSA-N
Canonic Smiles
O=C/C=N/Nc1ccccc1
Isomeric Smiles
N(=C\C=O)/Nc1ccccc1
Calculated Properties
JChem
Acid pKa
14.330023
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1107879
LogD (pH = 7.4)
2.1111941
Log P
2.1112661
Molar Refractivity
44.2991
Polarizability
15.940609
Polar Surface Area
41.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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