Molecule

ID:66049

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-19-14(17)12-7-8-13(9-12)16-15(18)20-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKey
VDOLNJIOWMVCGN-QWHCGFSZSA-N
Canonic Smiles
COC(=O)[C@H]1CC[C@H](C1)NC(=O)OCc1ccccc1
Isomeric Smiles
C(=O)(N[C@H]1C[C@@H](C(=O)OC)CC1)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.861067
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2604923
LogD (pH = 7.4)
2.2604923
Log P
2.2604923
Molar Refractivity
73.021
Polarizability
28.857788
Polar Surface Area
64.63
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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