Molecule

ID:85763

General Information
Structure
Molecular Formula
C₁₆H₁₆
Molecular Mass
208.29824
Exact Mass
208.12520051
Charge
0
InChI
InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2
InChIKey
MBAIEZXRGAOPKH-UHFFFAOYSA-N
Canonic Smiles
C1Cc2ccc3c4c2c(C1)ccc4CCC3
Isomeric Smiles
c1c2c3c4c(c1)CCCc4ccc3CCC2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9780936
LogD (pH = 7.4)
4.9780936
Log P
4.9780936
Molar Refractivity
68.2706
Polarizability
27.270464
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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