Molecule

ID:44468

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₇NO₃
Molecular Mass
365.46538
Exact Mass
365.19909373
Charge
0
InChI
InChI=1S/C23H27NO3/c1-23(2,3)18-11-9-17(10-12-18)21-19(22(26)27)13-14-20(25)24(21)15-16-7-5-4-6-8-16/h4-12,19,21H,13-15H2,1-3H3,(H,26,27)
InChIKey
CRPGJWHGKJNBKZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCC(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccccc1
Isomeric Smiles
N1(C(C(C(=O)O)CCC1=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.6011205
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5715694
LogD (pH = 7.4)
1.7955558
Log P
4.521057
Molar Refractivity
105.4028
Polarizability
41.08484
Polar Surface Area
57.61
Rotatable Bonds
5
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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