Molecule

ID:38642

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
HOZZVEPRYYCBTO-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C(=O)O)(C)C)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
CC(C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.759696
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7369529
LogD (pH = 7.4)
0.197654
Log P
3.478083
Molar Refractivity
89.2904
Polarizability
35.835766
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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