Molecule

ID:92071

General Information
Structure
Molecular Formula
C₁₆H₁₈
Molecular Mass
210.31412
Exact Mass
210.14085058
Charge
0
InChI
InChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
XCCQFUHBIRHLQT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CCc1ccc(cc1)C
Isomeric Smiles
Cc1ccc(cc1)CCc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5364513
LogD (pH = 7.4)
5.5364513
Log P
5.5364513
Molar Refractivity
70.4786
Polarizability
27.101435
Polar Surface Area
0.0
Rotatable Bonds
3
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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