Molecule

ID:107307

General Information
Structure
Molecular Formula
C₁₆H₁₀
Molecular Mass
202.2506
Exact Mass
202.07825032
Charge
0
InChI
InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H
InChIKey
HMQFJYLWNWIYKQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C#CC#Cc1ccccc1
Isomeric Smiles
c1ccc(cc1)C#CC#Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.57
LogD (pH = 5.5)
4.57
Log P
4.57
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
24.32
Molar Refractivity
62.46
LOG S
-4.72
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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