Molecule

ID:56190

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₄
Molecular Mass
313.34776
Exact Mass
313.13140809
Charge
0
InChI
InChI=1S/C18H19NO4/c20-16-14-11-6-7-12(9-11)15(14)17(21)19(16)13(18(22)23)8-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2,(H,22,23)
InChIKey
FMMCKONUOQGALJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1C(=O)C2C(C1=O)C1CC2CC1)Cc1ccccc1
Isomeric Smiles
C1CC2C3C(C(=O)N(C3=O)C(C(=O)O)Cc3ccccc3)C1C2
Calculated Properties
JChem
Acid pKa
3.842832
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4495673
LogD (pH = 7.4)
-1.1317812
Log P
2.110406
Molar Refractivity
81.6184
Polarizability
32.06781
Polar Surface Area
74.68
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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