Molecule

ID:112712

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀
Molecular Mass
130.1864
Exact Mass
130.07825032
Charge
0
InChI
InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3
InChIKey
FFFMSANAQQVUJA-UHFFFAOYSA-N
Canonic Smiles
CCC#Cc1ccccc1
Isomeric Smiles
CCC#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4050798
LogD (pH = 7.4)
3.4050798
Log P
3.4050798
Molar Refractivity
41.3321
Polarizability
16.66162
Polar Surface Area
0.0
Rotatable Bonds
2
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