Molecule

ID:125068

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Au
Molecular Mass
316.15019
Exact Mass
316.05264335
Charge
0
InChI
InChI=1S/C9H11.Au/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;
InChIKey
VUMCLWYYCJSHBH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)[Au]
Isomeric Smiles
Cc1cc(C)c([Au])c(C)c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0338
LogD (pH = 7.4)
3.0338
Log P
3.0338
Molar Refractivity
40.5979
Polarizability
22.22537
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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