Molecule

ID:112156

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅In
Molecular Mass
202.0013
Exact Mass
202.02125348
Charge
0
InChI
InChI=1S/3C2H5.In/c3*1-2;/h3*1H2,2H3;
InChIKey
OTRPZROOJRIMKW-UHFFFAOYSA-N
Canonic Smiles
CC[In](CC)CC
Isomeric Smiles
CC[In](CC)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.434
LogD (pH = 7.4)
1.434
Log P
1.434
Molar Refractivity
31.0407
Polarizability
16.814428
Polar Surface Area
0.0
Rotatable Bonds
3
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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