Molecule

ID:38480

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₄
Molecular Mass
327.37434
Exact Mass
327.14705816
Charge
0
InChI
InChI=1S/C19H21NO4/c1-18(2,3)24-17(23)20-19(16(21)22)10-13-8-4-6-12-7-5-9-14(11-19)15(12)13/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
UGIMPWOOLDLSRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(NC(=O)OC(C)(C)C)Cc2cccc3c2c(C1)ccc3
Isomeric Smiles
c12c3c(ccc1)CC(Cc3ccc2)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0496945
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.213203
LogD (pH = 7.4)
0.5451594
Log P
3.6750357
Molar Refractivity
89.7138
Polarizability
36.078304
Polar Surface Area
75.63
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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