Molecule

ID:44979

General Information
Structure
Molecular Formula
C₁₀H₁₃NO₂Si
Molecular Mass
207.30122
Exact Mass
207.07155519
Charge
0
InChI
InChI=1S/C10H13NO2Si/c1-14(2,3)10-5-8-9(13-10)4-7(12)6-11-8/h4-6,12H,1-3H3
InChIKey
LRACGUBCNVQHAO-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)O
Calculated Properties
JChem
Acid pKa
8.968172
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6540282
LogD (pH = 7.4)
2.6444387
Log P
2.6555
Molar Refractivity
49.668
Polarizability
22.87647
Polar Surface Area
46.26
Rotatable Bonds
1
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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