Molecule

ID:51633

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉FN₂O₂Si
Molecular Mass
352.5189632
Exact Mass
352.19823293
Charge
0
InChI
InChI=1S/C18H29FN2O2Si/c1-13(22)15-7-8-16(20-17(15)19)21-10-9-14(11-21)12-23-24(5,6)18(2,3)4/h7-8,14H,9-12H2,1-6H3
InChIKey
NVDAGQQCTAXALU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(c(nc(cc1)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F)C(=O)C
Calculated Properties
JChem
Acid pKa
15.283351
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7924998
LogD (pH = 7.4)
3.7925
Log P
3.7925
Molar Refractivity
93.9677
Polarizability
37.13776
Polar Surface Area
42.43
Rotatable Bonds
6
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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