Molecule

ID:125803

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO
Molecular Mass
293.40272
Exact Mass
293.17796436
Charge
0
InChI
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
ZPMKQFOGINQDAM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](CC/C=C/1\c2ccccc2CCc2c1cccc2)(C)C
Isomeric Smiles
[O-][N+](C)(C)CC/C=C\1/c2c(cccc2)CCc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6825726
LogD (pH = 7.4)
3.685126
Log P
3.6851597
Molar Refractivity
103.5521
Polarizability
35.29983
Polar Surface Area
26.88
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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