Molecule

ID:74390

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,17H,16H2
InChIKey
YBQRUOMICVULNM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)O
Isomeric Smiles
o1c(cc(=O)c2c1ccc(c2)O)c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
9.137149
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.831059
LogD (pH = 7.4)
1.8270131
Log P
1.8348938
Molar Refractivity
73.6525
Polarizability
27.007645
Polar Surface Area
72.55
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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