Molecule

ID:76484

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆
Molecular Mass
126.15464
Exact Mass
126.04695019
Charge
0
InChI
InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
InChIKey
MVLGANVFCMOJHR-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1)C#C
Isomeric Smiles
C#Cc1ccc(cc1)C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2749164
LogD (pH = 7.4)
2.2749164
Log P
2.2749164
Molar Refractivity
36.4026
Polarizability
15.537366
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation