Molecule

ID:111287

General Information
Structure
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Molecular Formula
C₁₆H₁₀
Molecular Mass
202.2506
Exact Mass
202.07825032
Charge
0
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKey
BBEAQIROQSPTKN-UHFFFAOYSA-N
Canonic Smiles
c1cc2ccc3c4c2c(c1)ccc4ccc3
Isomeric Smiles
c1cc2c3c(ccc4cccc(cc2)c34)c1
Calculated Properties
JChem
LogD (pH = 7.4)
4.28
LogD (pH = 5.5)
4.28
Log P
4.28
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
22.86
Molar Refractivity
66.72
LOG S
-6.54
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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