Molecule

ID:20660

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO
Molecular Mass
281.39202
Exact Mass
281.17796436
Charge
0
InChI
InChI=1S/C19H23NO/c1-2-6-18(7-3-1)19-10-8-16(9-11-19)14-21-15-17-5-4-12-20-13-17/h1-3,6-11,17,20H,4-5,12-15H2
InChIKey
SLINNCCMERCMOC-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(cc1)COCC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4129317
LogD (pH = 7.4)
0.92787975
Log P
3.6421635
Molar Refractivity
87.6369
Polarizability
35.78475
Polar Surface Area
21.26
Rotatable Bonds
5
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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