Molecule

ID:77120

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-8,12H,9H2,1-4H3
InChIKey
JWTYDRKOSWALHD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cccc2
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C(Cc2ccccc12)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6239953
LogD (pH = 7.4)
2.6239953
Log P
2.6239953
Molar Refractivity
73.3747
Polarizability
28.844564
Polar Surface Area
55.84
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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