Molecule

ID:44932

General Information
Structure
Molecular Formula
C₁₈H₃₁BrN₂O₂Si
Molecular Mass
415.44044
Exact Mass
414.13381677
Charge
0
InChI
InChI=1S/C18H31BrN2O2Si/c1-18(2,3)24(5,6)23-13-14-7-8-21(11-14)12-16-17(22-4)9-15(19)10-20-16/h9-10,14H,7-8,11-13H2,1-6H3
InChIKey
YGGQFKNSXKOLDC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)cnc1CN1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc(c(c1)OC)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)Br
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7879205
LogD (pH = 7.4)
3.4784157
Log P
3.5006
Molar Refractivity
99.6982
Polarizability
41.202354
Polar Surface Area
34.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation