Molecule

ID:23882

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₁ClN₄O₂Si
Molecular Mass
493.15714
Exact Mass
492.26873078
Charge
0
InChI
InChI=1S/C25H41ClN4O2Si/c1-17(2)33(18(3)4,19(5)6)30-11-10-20-22(21(26)16-27-23(20)30)28-12-14-29(15-13-28)24(31)32-25(7,8)9/h10-11,16-19H,12-15H2,1-9H3
InChIKey
RNSRGCHICRFCED-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1c(Cl)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)C
Isomeric Smiles
c1(cnc2c(c1N1CCN(CC1)C(=O)OC(C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.197206
LogD (pH = 7.4)
5.819461
Log P
5.8417
Molar Refractivity
135.2105
Polarizability
54.239014
Polar Surface Area
50.6
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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