Molecule

ID:41455

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₃
Molecular Mass
311.37494
Exact Mass
311.15214354
Charge
0
InChI
InChI=1S/C19H21NO3/c1-20(2)13-18(14-5-9-16(22-3)10-6-14)19(21)15-7-11-17(23-4)12-8-15/h5-13H,1-4H3/b18-13+
InChIKey
ITDZPUDNXYVUGW-QGOAFFKASA-N
Canonic Smiles
COc1ccc(cc1)/C(=C\N(C)C)/C(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=C\N(C)C)(/C(=O)c1ccc(cc1)OC)\c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8909547
LogD (pH = 7.4)
3.221599
Log P
3.2279665
Molar Refractivity
92.1915
Polarizability
35.178833
Polar Surface Area
38.77
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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