Molecule

ID:59362

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-16(19)13(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+
InChIKey
DMOOPGGQWWPLSI-LICLKQGHSA-N
Canonic Smiles
O=c1oc2ccccc2c(c1/C=N/c1ccccc1)O
Isomeric Smiles
c1ccc2c(c1)c(c(c(=O)o2)/C=N/c1ccccc1)O
Calculated Properties
JChem
Acid pKa
6.1996746
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5412626
LogD (pH = 7.4)
1.4034028
Log P
2.620198
Molar Refractivity
77.3354
Polarizability
28.45022
Polar Surface Area
58.89
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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