Molecule

ID:136681

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cu
Molecular Mass
182.72964
Exact Mass
182.01567285
Charge
0
InChI
InChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;
InChIKey
BBUKMFLZOHNUQU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)[Cu]
Isomeric Smiles
Cc1cc(c(c(c1)C)[Cu])C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1598
LogD (pH = 7.4)
3.1598
Log P
3.1598
Molar Refractivity
40.5979
Polarizability
18.447893
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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