Molecule

ID:69433

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀
Molecular Mass
130.1864
Exact Mass
130.07825032
Charge
0
InChI
InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3
InChIKey
ZNTJVJSUNSUMPP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C#C
Isomeric Smiles
C(#C)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.082071
LogD (pH = 7.4)
3.082071
Log P
3.082071
Molar Refractivity
40.8725
Polarizability
16.577665
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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