Molecule

ID:44929

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈IN₃OSi
Molecular Mass
433.40299
Exact Mass
433.10463706
Charge
0
InChI
InChI=1S/C16H28IN3OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-13(17)8-19-9-14(15)18/h8-9,12H,6-7,10-11,18H2,1-5H3
InChIKey
NQUOHPYVNRCUHP-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc(c1N1CCC(C1)CO[Si](C(C)(C)C)(C)C)I
Isomeric Smiles
c1(cncc(c1N1CC(CC1)CO[Si](C(C)(C)C)(C)C)N)I
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3740466
LogD (pH = 7.4)
3.0640075
Log P
3.3961
Molar Refractivity
100.0832
Polarizability
39.942833
Polar Surface Area
51.38
Rotatable Bonds
5
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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