Molecule

ID:121408

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c18-15-12-8-4-5-9-13(12)16-14(17(15)19)10-20-11-6-2-1-3-7-11/h1-9,19H,10H2
InChIKey
DBENNQKBLNFIRG-UHFFFAOYSA-N
Canonic Smiles
O=c1n(O)c(COc2ccccc2)nc2c1cccc2
Isomeric Smiles
n1(c(=O)c2c(nc1COc1ccccc1)cccc2)O
Calculated Properties
JChem
Acid pKa
5.7992926
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.111408
LogD (pH = 7.4)
0.74299866
Log P
2.2871623
Molar Refractivity
75.1166
Polarizability
27.71985
Polar Surface Area
62.13
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
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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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