Molecule

ID:108685

General Information
Structure
Molecular Formula
C₁₄H₁₀
Molecular Mass
178.2292
Exact Mass
178.07825032
Charge
0
InChI
InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
InChIKey
JRXXLCKWQFKACW-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C#Cc1ccccc1
Isomeric Smiles
c1ccc(cc1)C#Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.09
LogD (pH = 5.5)
4.09
Log P
4.09
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
21.11
Molar Refractivity
53.89
LOG S
-4.00
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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