Molecule

ID:69376

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂N₂O₃
Molecular Mass
374.43238
Exact Mass
374.16304257
Charge
0
InChI
InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1
InChIKey
BRRPJQYCERAMFI-FQEVSTJZSA-N
Canonic Smiles
N[C@H](C(=O)O)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)([C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)N)O
Calculated Properties
JChem
Acid pKa
2.141357
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0937353
LogD (pH = 7.4)
1.0580409
Log P
1.0937212
Molar Refractivity
108.3018
Polarizability
41.961246
Polar Surface Area
92.42
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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