Molecule

ID:45003

General Information
Structure
Molecular Formula
C₁₄H₂₃N₃OSi
Molecular Mass
277.43742
Exact Mass
277.1610389
Charge
0
InChI
InChI=1S/C14H23N3OSi/c1-14(2,3)19(5,6)18-9-11-7-12-13(15-8-11)17(4)10-16-12/h7-8,10H,9H2,1-6H3
InChIKey
ZRQGXPOSBWSIKN-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1ncc(c2)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)ncn2C)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6383495
LogD (pH = 7.4)
2.6388931
Log P
2.6389
Molar Refractivity
74.3249
Polarizability
31.36163
Polar Surface Area
39.94
Rotatable Bonds
4
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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