Molecule

ID:50590

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClINSi
Molecular Mass
325.64919
Exact Mass
324.95505163
Charge
0
InChI
InChI=1S/C9H13ClINSi/c1-6-5-12-9(10)8(7(6)11)13(2,3)4/h5H,1-4H3
InChIKey
COWFPCLCFDUTGB-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1I)[Si](C)(C)C)Cl
Isomeric Smiles
c1(cnc(c(c1I)[Si](C)(C)C)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6657953
LogD (pH = 7.4)
4.6658
Log P
4.6658
Molar Refractivity
64.2345
Polarizability
26.76011
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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