Molecule

ID:88601

General Information
Structure
Molecular Formula
C₁₈H₁₂
Molecular Mass
228.28788
Exact Mass
228.09390038
Charge
0
InChI
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
InChIKey
SLGBZMMZGDRARJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1ccccc1c1c2cccc1
Isomeric Smiles
c1c2c(ccc1)c1ccccc1c1ccccc21
Calculated Properties
JChem
LogD (pH = 7.4)
4.94
LogD (pH = 5.5)
4.94
Log P
4.94
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
26.35
Molar Refractivity
75.41
LOG S
-7.07
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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