Molecule

ID:74209

General Information
Structure
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c13-12(14-15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,15H,8H2,(H2,13,14)
InChIKey
NWWCOKUDFCFADE-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/Cc1cccc2c1cccc2)\N
Isomeric Smiles
N(=C(\Cc1cccc2c1cccc2)/N)/O
Calculated Properties
JChem
Acid pKa
11.711582
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6481758
LogD (pH = 7.4)
1.8566905
Log P
1.8601747
Molar Refractivity
59.5818
Polarizability
24.113789
Polar Surface Area
58.61
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
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Molecule Details
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References
Bioactivity
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