Molecule

ID:104652

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O
Molecular Mass
276.33244
Exact Mass
276.12626314
Charge
0
InChI
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3
InChIKey
JBTHDAVBDKKSRW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2
Isomeric Smiles
Cc1cc(C)c(cc1)/N=N/c1c2ccccc2ccc1O
Calculated Properties
JChem
Acid pKa
11.835293
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.0918884
LogD (pH = 7.4)
6.0918775
Log P
6.0918937
Molar Refractivity
88.8905
Polarizability
33.276752
Polar Surface Area
44.95
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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