Molecule

ID:128353

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₆
Molecular Mass
268.35174
Exact Mass
268.12520051
Charge
0
InChI
InChI=1S/C21H16/c1-13-11-15-6-4-7-16-12-19-17-8-3-2-5-14(17)9-10-18(19)20(13)21(15)16/h2-10,12-13H,11H2,1H3
InChIKey
JVGJWHQKHATXLD-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c3c1c1ccc4c(c1cc3ccc2)cccc4
Isomeric Smiles
c12cc3cccc4c3c(c1ccc1ccccc21)C(C)C4
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.791812
LogD (pH = 7.4)
5.791812
Log P
5.791812
Molar Refractivity
88.2374
Polarizability
38.025642
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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