Molecule

ID:51672

General Information
Structure
Molecular Formula
C₁₂H₁₃FN₂Si
Molecular Mass
232.3289232
Exact Mass
232.08320318
Charge
0
InChI
InChI=1S/C12H13FN2Si/c1-16(2,3)7-5-9-10-4-6-14-12(10)15-8-11(9)13/h4,6,8H,1-3H3,(H,14,15)
InChIKey
CWLBIWBZPQAUCP-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1C#C[Si](C)(C)C)cc[nH]2
Isomeric Smiles
c1(cnc2c(c1C#C[Si](C)(C)C)cc[nH]2)F
Calculated Properties
JChem
Acid pKa
14.503188
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4046426
LogD (pH = 7.4)
3.4046993
Log P
3.4047
Molar Refractivity
55.3932
Polarizability
24.664318
Polar Surface Area
28.68
Rotatable Bonds
2
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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