Molecule

ID:104329

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₆
Molecular Mass
268.35174
Exact Mass
268.12520051
Charge
0
InChI
InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKey
PPQNQXQZIWHJRB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1
Isomeric Smiles
Cc1c2CCc3c4ccc5ccccc5c4cc(cc1)c23
Calculated Properties
JChem
LogD (pH = 7.4)
6.02
LogD (pH = 5.5)
6.02
Log P
6.02
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
32.28
Molar Refractivity
88.73
LOG S
-8.47
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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