Molecule
ID:38494
General Information
Molecular Formula
C₁₉H₁₇NO₄
Molecular Mass
323.34258
Exact Mass
323.11575803
Charge
0
InChI
InChI=1S/C19H17NO4/c21-17(22)19(9-10-19)20-18(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,23)(H,21,22)
InChIKey
OPPOISJKHBLNPD-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1CC1(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.6458466
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3191537
LogD (pH = 7.4)
-0.1562214
Log P
3.1702645
Molar Refractivity
87.3342
Polarizability
35.10655
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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