Molecule

ID:39255

General Information
Structure
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
CGPQRFCFBISLKF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1CNC(=O)OC(C)(C)C
Isomeric Smiles
c1(ccccc1CC(=O)O)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8613122
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.58585507
LogD (pH = 7.4)
-1.0042889
Log P
2.22886
Molar Refractivity
70.712
Polarizability
27.4929
Polar Surface Area
75.63
Rotatable Bonds
6
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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