Molecule

ID:3130

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₄Si
Molecular Mass
190.26916
Exact Mass
190.06613546
Charge
0
InChI
InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
RTXZCZFAAYFFKF-YFKPBYRVSA-N
Canonic Smiles
OC(=O)C[C@H]([Si](C)(C)C)C(=O)O
Isomeric Smiles
C[Si](C)(C)[C@@H](CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0853567
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.27609506
LogD (pH = 7.4)
-3.5774426
Log P
1.4094
Molar Refractivity
38.9579
Polarizability
17.720335
Polar Surface Area
74.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.93
LOG S
-1.5
Solubility (Water)
5.95e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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