Molecule

ID:92246

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₃
Molecular Mass
219.23652
Exact Mass
219.08954328
Charge
0
InChI
InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKey
YMVGXIZVSPMNPD-NSHDSACASA-N
Canonic Smiles
CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Isomeric Smiles
O1C(=O)N([C@H](C1)Cc1ccccc1)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7026637
LogD (pH = 7.4)
1.7026637
Log P
1.7026637
Molar Refractivity
57.6209
Polarizability
22.638113
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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