Molecule

ID:44933

General Information
Structure
Molecular Formula
C₁₇H₂₉IN₂OSi
Molecular Mass
432.41493
Exact Mass
432.10938809
Charge
0
InChI
InChI=1S/C17H29IN2OSi/c1-17(2,3)22(4,5)21-13-14-6-7-20(11-14)12-15-8-16(18)10-19-9-15/h8-10,14H,6-7,11-13H2,1-5H3
InChIKey
CNCDNBJLDOIUGT-UHFFFAOYSA-N
Canonic Smiles
Ic1cncc(c1)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cncc(c1)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2600734
LogD (pH = 7.4)
3.647134
Log P
3.8018
Molar Refractivity
99.4969
Polarizability
40.961475
Polar Surface Area
25.36
Rotatable Bonds
6
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