Molecule

ID:52895

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₃NO₃
Molecular Mass
373.44432
Exact Mass
373.1677936
Charge
0
InChI
InChI=1S/C24H23NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23,26H,14-16H2,(H,25,27)/t18-/m0/s1
InChIKey
SJGBJASOHDROCR-SFHVURJKSA-N
Canonic Smiles
OC[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1cccc(c1)C[C@H](NC(=O)OCC1c2c(c3c1cccc3)cccc2)CO
Calculated Properties
JChem
Acid pKa
14.342987
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.381369
LogD (pH = 7.4)
4.381369
Log P
4.381369
Molar Refractivity
109.3287
Polarizability
43.74411
Polar Surface Area
58.56
Rotatable Bonds
7
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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