Molecule

ID:129214

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂N₂O₂
Molecular Mass
312.32148
Exact Mass
312.08987763
Charge
0
InChI
InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)
InChIKey
NRCMAYZCPIVABH-UHFFFAOYSA-N
Canonic Smiles
O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2
Isomeric Smiles
O=c1c2ccccc2[nH]c2cc3c(=O)c4c(cccc4)[nH]c3cc12
Calculated Properties
JChem
Acid pKa
17.134808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
6.4253116
LogD (pH = 7.4)
6.425312
Log P
6.425312
Molar Refractivity
92.0654
Polarizability
34.444828
Polar Surface Area
58.2
Rotatable Bonds
0
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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