Molecule

ID:44963

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄Si
Molecular Mass
307.41704
Exact Mass
307.12398469
Charge
0
InChI
InChI=1S/C15H21NO4Si/c1-15(2,3)21(4,5)19-9-11-7-12-13(20-11)6-10(8-16-12)14(17)18/h6-8H,9H2,1-5H3,(H,17,18)
InChIKey
LPAAHOPBWVHPDY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc2c(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)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7112439
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9246768
LogD (pH = 7.4)
-0.66601735
Log P
2.7209
Molar Refractivity
76.1679
Polarizability
32.667294
Polar Surface Area
72.56
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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