Molecule

ID:109331

General Information
Structure
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Molecular Formula
C₂₂H₁₄
Molecular Mass
278.34656
Exact Mass
278.10955045
Charge
0
InChI
InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
InChIKey
RAASUWZPTOJQAY-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2
Isomeric Smiles
c1cc2c(cc1)c1c(cccc1)c1cc3ccccc3cc21
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.931153
LogD (pH = 7.4)
5.931153
Log P
5.931153
Molar Refractivity
91.8588
Polarizability
41.187485
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
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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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