Molecule

ID:111480

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈
Molecular Mass
222.32482
Exact Mass
222.14085058
Charge
0
InChI
InChI=1S/C17H18/c1-11-4-6-14-10-15-7-5-12(2)9-17(15)13(3)16(14)8-11/h4-9,13H,10H2,1-3H3
InChIKey
MIQLEVVGCUJBEB-UHFFFAOYSA-N
Canonic Smiles
CC1c2cc(C)ccc2Cc2c1cc(C)cc2
Isomeric Smiles
CC1c2cc(C)ccc2Cc2c1cc(C)cc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.49745
LogD (pH = 7.4)
5.49745
Log P
5.49745
Molar Refractivity
74.1054
Polarizability
28.192009
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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