Molecule

ID:38515

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₃NO₄
Molecular Mass
365.42232
Exact Mass
365.16270822
Charge
0
InChI
InChI=1S/C22H23NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,23,26)(H,24,25)/t14-,15-
InChIKey
RIZQTCLNVHZQOO-SHTZXODSSA-N
Canonic Smiles
O=C(N[C@@H]1CC[C@H](CC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1[C@H](CC[C@@H](C1)C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.17369
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6769683
LogD (pH = 7.4)
0.9694
Log P
4.0205846
Molar Refractivity
101.2527
Polarizability
40.633385
Polar Surface Area
75.63
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
No Data Available
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Molecule Details
References
Bioactivity
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