Molecule

ID:70119

General Information
Structure
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Molecular Formula
C₁₆H₁₆
Molecular Mass
208.29824
Exact Mass
208.12520051
Charge
0
InChI
InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2
InChIKey
OOLUVSIJOMLOCB-UHFFFAOYSA-N
Canonic Smiles
C1Cc2ccc(cc2)CCc2ccc1cc2
Isomeric Smiles
c12CCc3ccc(CCc(cc1)cc2)cc3
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0727253
LogD (pH = 7.4)
5.0727253
Log P
5.0727253
Molar Refractivity
68.6764
Polarizability
26.35014
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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