Molecule

ID:129776

General Information
Structure
Molecular Formula
C₁₈H₁₂
Molecular Mass
228.28788
Exact Mass
228.09390038
Charge
0
InChI
InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
InChIKey
IFLREYGFSNHWGE-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2
Isomeric Smiles
c12cc3cc4ccccc4cc3cc1cccc2
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
26.91
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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