Molecule

ID:37866

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(19)16-6-7-20-12-5-4-10(13(17)18)8-11(12)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey
DSHOQJKFXSQKPD-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOc2c(C1)cc(cc2)C(=O)O)OC(C)(C)C
Isomeric Smiles
c1(ccc2c(c1)CN(CCO2)C(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3177943
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9352675
LogD (pH = 7.4)
-0.80679226
Log P
2.1431744
Molar Refractivity
76.0515
Polarizability
29.295338
Polar Surface Area
76.07
Rotatable Bonds
3
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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