Molecule

ID:77114

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆
Molecular Mass
196.28754
Exact Mass
196.12520051
Charge
0
InChI
InChI=1S/C15H16/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKey
NAYIXKXYHOLMRC-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
CCCc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.02303
LogD (pH = 7.4)
5.02303
Log P
5.02303
Molar Refractivity
65.4374
Polarizability
26.97546
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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