Molecule

ID:43470

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(18)16-7-8-20-12-6-5-10(9-11(12)16)13(17)19-4/h5-6,9H,7-8H2,1-4H3
InChIKey
HQKCVTJZDCCIIF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)N(CCO2)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)c2cc(C(=O)OC)ccc2OCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4225538
LogD (pH = 7.4)
2.4225538
Log P
2.4225538
Molar Refractivity
75.9856
Polarizability
29.528996
Polar Surface Area
65.07
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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