Molecule

ID:11445

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19)
InChIKey
XARHILSRKCHUAE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1cccc2c1cccc2
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
4.375748
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5161509
LogD (pH = 7.4)
-1.2364246
Log P
1.670154
Molar Refractivity
69.4683
Polarizability
28.01366
Polar Surface Area
57.61
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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