Molecule

ID:126718

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO
Molecular Mass
291.38684
Exact Mass
291.1623143
Charge
0
InChI
InChI=1S/C20H21NO/c1-21(2)14-17(22)13-20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,13H,11-12,14H2,1-2H3
InChIKey
DRNINDKQWDOFMO-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)/C=C/1\c2ccccc2CCc2c1cccc2)C
Isomeric Smiles
O=C(/C=C\1/c2c(cccc2)CCc2c1cccc2)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4865086
LogD (pH = 7.4)
4.0667486
Log P
4.3535256
Molar Refractivity
101.8729
Polarizability
35.256138
Polar Surface Area
20.31
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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