Molecule

ID:38466

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)8-10-6-4-5-7-11(10)9-15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
YOMACQVTIAGKNW-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(Cc2c(C1)cccc2)C(=O)O)OC(C)(C)C
Isomeric Smiles
c1cc2c(cc1)CC(C2)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9105153
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0899974
LogD (pH = 7.4)
-0.5225681
Log P
2.6855588
Molar Refractivity
73.2636
Polarizability
28.611635
Polar Surface Area
75.63
Rotatable Bonds
4
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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