Molecule

ID:131983

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₃NO₃
Molecular Mass
361.43362
Exact Mass
361.1677936
Charge
0
InChI
InChI=1S/C23H23NO3/c1-4-7-22(25)27-21-14-18-9-6-5-8-17(18)13-19(21)23(26)24-20-11-10-15(2)12-16(20)3/h5-6,8-14H,4,7H2,1-3H3,(H,24,26)
InChIKey
OSBXUQZQTBGULF-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1C)C
Isomeric Smiles
CCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1C)C
Calculated Properties
JChem
Acid pKa
11.7517395
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.8338156
LogD (pH = 7.4)
5.8337975
Log P
5.8338156
Molar Refractivity
108.4844
Polarizability
42.113697
Polar Surface Area
55.4
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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