Molecule

ID:57034

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c1-9-4-2-5-10-11(15(17)18)8-12(16-14(9)10)13-6-3-7-19-13/h2-8H,1H3,(H,17,18)
InChIKey
AQKBIVUDNKUHNT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2C)c1ccco1
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)c1ccco1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.5713108
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4720682
LogD (pH = 7.4)
0.04234309
Log P
3.3952272
Molar Refractivity
69.4318
Polarizability
28.882145
Polar Surface Area
63.33
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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