Molecule

ID:40795

General Information
Structure
Molecular Formula
C₁₂H₁₅NO₃
Molecular Mass
221.2524
Exact Mass
221.10519335
Charge
0
InChI
InChI=1S/C12H15NO3/c1-2-16-12(15)9-13-11(14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey
JMOABIAPWACPKV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(NCC(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
12.716956
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0084128
LogD (pH = 7.4)
1.008411
Log P
1.0084128
Molar Refractivity
59.6868
Polarizability
23.357674
Polar Surface Area
55.4
Rotatable Bonds
6
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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