Molecule

ID:44975

General Information
Structure
Molecular Formula
C₁₅H₂₁IN₂O₂Si
Molecular Mass
416.32941
Exact Mass
416.04170245
Charge
0
InChI
InChI=1S/C15H21IN2O2Si/c1-15(2,3)14(19)18-12-9(16)8-17-10-7-11(20-13(10)12)21(4,5)6/h7-8H,1-6H3,(H,17,18,19)
InChIKey
NQGXPZFYJZPDJR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1c(I)cnc2c1oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1NC(=O)C(C)(C)C)oc(c2)[Si](C)(C)C)I
Calculated Properties
JChem
Acid pKa
11.022101
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1114225
LogD (pH = 7.4)
5.111595
Log P
5.1117
Molar Refractivity
89.615
Polarizability
37.7561
Polar Surface Area
55.13
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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