Molecule

ID:86830

General Information
Structure
Molecular Formula
C₂₀H₂₁NO₂
Molecular Mass
307.38624
Exact Mass
307.15722892
Charge
0
InChI
InChI=1S/C20H21NO2/c1-16(22)23-14-8-7-13-21-19-12-6-5-11-18(19)15-20(21)17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKey
HQOQTSOBAWSBKV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCCCCn1c(cc2c1cccc2)c1ccccc1
Isomeric Smiles
n1(c(cc2ccccc12)c1ccccc1)CCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.191256
LogD (pH = 7.4)
4.191256
Log P
4.191256
Molar Refractivity
92.0087
Polarizability
38.331673
Polar Surface Area
31.23
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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