Molecule

ID:41159

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c16-13-9-5-4-8-12(13)15(18)19-10-14(17)11-6-2-1-3-7-11/h1-9H,10,16H2
InChIKey
RLYWUFWEFSCIKM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)COC(=O)c1ccccc1N
Isomeric Smiles
c1(C(=O)OCC(=O)c2ccccc2)c(N)cccc1
Calculated Properties
JChem
Acid pKa
13.716638
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.029868
LogD (pH = 7.4)
3.0300171
Log P
3.0300193
Molar Refractivity
72.6854
Polarizability
27.374773
Polar Surface Area
69.39
Rotatable Bonds
5
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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