Molecule

ID:129294

General Information
Structure
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
InChIKey
RQBUXEUMZZQUFY-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2
Isomeric Smiles
c1cccc2c1Oc1ccccc1C2C(=O)NC(=O)OCCCC
Calculated Properties
JChem
Acid pKa
8.45192
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9392023
LogD (pH = 7.4)
3.9032
Log P
3.9396815
Molar Refractivity
89.1032
Polarizability
34.784737
Polar Surface Area
64.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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