Molecule

ID:44958

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉NO₂Si₂
Molecular Mass
335.58866
Exact Mass
335.17368224
Charge
0
InChI
InChI=1S/C17H29NO2Si2/c1-17(2,3)22(7,8)19-12-13-9-15-16(20-13)10-14(11-18-15)21(4,5)6/h9-11H,12H2,1-8H3
InChIKey
IVHXBVMEXOGGSN-UHFFFAOYSA-N
Canonic Smiles
C[Si](C(C)(C)C)(OCc1cc2c(o1)cc(cn2)[Si](C)(C)C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7884564
LogD (pH = 7.4)
4.7895856
Log P
4.7896
Molar Refractivity
84.9753
Polarizability
38.792763
Polar Surface Area
35.26
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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