Molecule

ID:77726

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKey
HGTIILKZSFKZMS-CQSZACIVSA-N
Canonic Smiles
CC(=O)N[C@@H](C(=O)O)Cc1ccc2c(c1)cccc2
Isomeric Smiles
N(C(=O)C)[C@@H](C(=O)O)Cc1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
4.18106
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5493105
LogD (pH = 7.4)
-1.1603161
Log P
1.8859384
Molar Refractivity
71.0103
Polarizability
28.753363
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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