Molecule

ID:26232

General Information
Structure
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-8(2)18-13(16)10-5-11(7-12(15)6-10)14(17)19-9(3)4/h5-9H,15H2,1-4H3
InChIKey
NDKPWDCVTVYVOW-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1cc(N)cc(c1)C(=O)OC(C)C)C
Isomeric Smiles
C(=O)(c1cc(C(=O)OC(C)C)cc(c1)N)OC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.698001
LogD (pH = 7.4)
2.6980393
Log P
2.6980398
Molar Refractivity
73.1438
Polarizability
27.6945
Polar Surface Area
78.62
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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