Molecule

ID:10832

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c18-14(19)11-17-16(20)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,20)(H,18,19)
InChIKey
VQBRAWUFMIKGTC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)c1ccccc1)NCC(=O)O
Isomeric Smiles
C(=O)(NCC(=O)O)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.04877
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.71978295
LogD (pH = 7.4)
-0.9479306
Log P
2.182501
Molar Refractivity
74.8386
Polarizability
29.000896
Polar Surface Area
66.4
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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