Molecule

ID:136178

General Information
Structure
Molecular Formula
C₁₆H₁₈
Molecular Mass
210.31412
Exact Mass
210.14085058
Charge
0
InChI
InChI=1S/C16H18/c1-13-7-6-10-16(14(13)2)12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3
InChIKey
SZFXZCSXSJOEAM-UHFFFAOYSA-N
Canonic Smiles
Cc1c(cccc1C)CCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CCc1cccc(c1C)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
27.474497
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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