Molecule

ID:44962

General Information
Structure
Molecular Formula
C₁₄H₂₁NO₃Si
Molecular Mass
279.40694
Exact Mass
279.12907007
Charge
0
InChI
InChI=1S/C14H21NO3Si/c1-14(2,3)19(4,5)17-9-11-7-12-13(18-11)6-10(16)8-15-12/h6-8,16H,9H2,1-5H3
InChIKey
PVBHQEAUBNFSDB-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)O
Calculated Properties
JChem
Acid pKa
8.8907795
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9195807
LogD (pH = 7.4)
2.9074287
Log P
2.9206
Molar Refractivity
70.8926
Polarizability
30.930614
Polar Surface Area
55.49
Rotatable Bonds
4
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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