Molecule

ID:51659

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅F₃N₂O₂Si
Molecular Mass
386.4840096
Exact Mass
386.16373924
Charge
0
InChI
InChI=1S/C18H25F3N2O2Si/c1-10(2)26(11(3)4,12(5)6)23-8-7-13-15(17(24)25)14(18(19,20)21)9-22-16(13)23/h7-12H,1-6H3,(H,24,25)
InChIKey
LKEOFBNRUAFEDP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2ccn(c2ncc1C(F)(F)F)[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1C(=O)O)ccn2[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.4521592
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.847698
LogD (pH = 7.4)
1.3992279
Log P
4.8942
Molar Refractivity
93.4565
Polarizability
36.877728
Polar Surface Area
55.12
Rotatable Bonds
6
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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