Molecule

ID:44968

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀N₂O₄Si
Molecular Mass
378.538
Exact Mass
378.19748398
Charge
0
InChI
InChI=1S/C19H30N2O4Si/c1-18(2,3)25-17(22)21-13-9-16-15(20-11-13)10-14(24-16)12-23-26(7,8)19(4,5)6/h9-11H,12H2,1-8H3,(H,21,22)
InChIKey
TXWQHLHPCRNXFF-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cnc2c(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)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.23706
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9894776
LogD (pH = 7.4)
3.9895923
Log P
3.9896
Molar Refractivity
99.2039
Polarizability
41.42637
Polar Surface Area
73.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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