Molecule

ID:59547

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₃
Molecular Mass
311.37494
Exact Mass
311.15214354
Charge
0
InChI
InChI=1S/C19H21NO3/c1-13(2)17(19(22)23)20-18(21)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKey
FUPWHHXDOFSBKX-KRWDZBQOSA-N
Canonic Smiles
CC([C@@H](C(=O)O)NC(=O)C(c1ccccc1)c1ccccc1)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)O)C(C)C)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.142321
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2653434
LogD (pH = 7.4)
0.5669008
Log P
3.6387606
Molar Refractivity
88.3281
Polarizability
34.525253
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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