Molecule

ID:54968

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₅NO₃
Molecular Mass
317.338
Exact Mass
317.10519335
Charge
0
InChI
InChI=1S/C20H15NO3/c22-13-21-19-12-15(16-8-4-5-9-18(16)20(23)24)10-11-17(19)14-6-2-1-3-7-14/h1-13H,(H,21,22)(H,23,24)
InChIKey
MVGOWEZFEKWWDR-UHFFFAOYSA-N
Canonic Smiles
O=CNc1cc(ccc1c1ccccc1)c1ccccc1C(=O)O
Isomeric Smiles
c1(c(cc(cc1)c1c(C(=O)O)cccc1)NC=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.67501
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2913437
LogD (pH = 7.4)
0.7989219
Log P
4.114291
Molar Refractivity
93.9591
Polarizability
37.65603
Polar Surface Area
66.4
Rotatable Bonds
4
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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