Molecule

ID:44922

General Information
Structure
Molecular Formula
C₂₀H₃₅ClN₂O₃Si
Molecular Mass
415.042
Exact Mass
414.2105472
Charge
0
InChI
InChI=1S/C20H35ClN2O3Si/c1-20(2,3)27(6,7)26-14-15-9-11-23(12-15)13-16-8-10-22-18(21)17(16)19(24-4)25-5/h8,10,15,19H,9,11-14H2,1-7H3
InChIKey
RPQGNXICLGVCMN-UHFFFAOYSA-N
Canonic Smiles
COC(c1c(ccnc1Cl)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)OC
Isomeric Smiles
c1cnc(c(c1CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)C(OC)OC)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4347719
LogD (pH = 7.4)
3.147286
Log P
3.6157
Molar Refractivity
109.3487
Polarizability
44.794098
Polar Surface Area
43.82
Rotatable Bonds
9
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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