Molecule

ID:87770

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-9-8-10-6-5-7-11(12(10)16)13(17)19-4/h5-9H,1-4H3
InChIKey
LFIINZZVXMUCCL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1n(cc2)C(=O)OC(C)(C)C
Isomeric Smiles
n1(c2c(cccc2C(=O)OC)cc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0685446
LogD (pH = 7.4)
3.0685446
Log P
3.0685446
Molar Refractivity
73.8693
Polarizability
29.909346
Polar Surface Area
57.53
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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