Molecule

ID:99836

General Information
Structure
MolImage
Molecular Formula
C₉H₂₇F₂N₃SSi
Molecular Mass
275.4780864
Exact Mass
275.16630185
Charge
0
InChI
InChI=1S/C6H18N3S.C3H9F2Si/c1-7(2)10(8(3)4)9(5)6;1-6(2,3,4)5/h1-6H3;1-3H3/q+1;-1
InChIKey
JMGVTLYEFSBAGJ-UHFFFAOYSA-N
Canonic Smiles
C[Si-](F)(F)(C)C.CN([S+](N(C)C)N(C)C)C
Isomeric Smiles
[Si-](C)(F)(F)(C)C.[S+](N(C)C)(N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.0743773
LogD (pH = 7.4)
-2.0743773
Log P
-2.0743773
Molar Refractivity
47.436
Polarizability
19.794762
Polar Surface Area
9.72
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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