Molecule

ID:50569

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉IN₂OSi
Molecular Mass
432.41493
Exact Mass
432.10938809
Charge
0
InChI
InChI=1S/C17H29IN2OSi/c1-13-9-15(18)16(19-10-13)20-8-7-14(11-20)12-21-22(5,6)17(2,3)4/h9-10,14H,7-8,11-12H2,1-6H3
InChIKey
PJHJANDHAXJAJT-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1450024
LogD (pH = 7.4)
5.341883
Log P
5.3451
Molar Refractivity
100.7375
Polarizability
40.532776
Polar Surface Area
25.36
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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