Molecule

ID:59548

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₉NO₃
Molecular Mass
345.39116
Exact Mass
345.13649347
Charge
0
InChI
InChI=1S/C22H19NO3/c24-21(23-20(22(25)26)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKey
TUEBEFJSLZPNJI-HXUWFJFHSA-N
Canonic Smiles
OC(=O)[C@@H](c1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(N[C@@H](C(=O)O)c1ccccc1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.9592173
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5702565
LogD (pH = 7.4)
0.93693715
Log P
4.1189303
Molar Refractivity
99.1965
Polarizability
38.596874
Polar Surface Area
66.4
Rotatable Bonds
6
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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