Molecule

ID:50576

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNSi
Molecular Mass
199.75266
Exact Mass
199.05840367
Charge
0
InChI
InChI=1S/C9H14ClNSi/c1-7-5-8(12(2,3)4)9(10)11-6-7/h5-6H,1-4H3
InChIKey
RXWJBHXAWWUHQD-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)[Si](C)(C)C)Cl
Isomeric Smiles
c1(cnc(c(c1)[Si](C)(C)C)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6751494
LogD (pH = 7.4)
3.6751993
Log P
3.6752
Molar Refractivity
50.872
Polarizability
21.573305
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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