Molecule
ID:119217
General Information
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c20-17(15-11-5-2-6-12-15)19-16(18(21)22)13-7-10-14-8-3-1-4-9-14/h1-13H,(H,19,20)(H,21,22)/b10-7+,16-13-
InChIKey
BGLZRCYDKYRZQE-SBFJKYRKSA-N
Canonic Smiles
OC(=O)/C(=C/C=C/c1ccccc1)/NC(=O)c1ccccc1
Isomeric Smiles
C(=O)(N/C(=C\C=C\c1ccccc1)/C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0930758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7601318
LogD (pH = 7.4)
0.07720541
Log P
3.1804843
Molar Refractivity
87.1177
Polarizability
32.060883
Polar Surface Area
66.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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