Molecule

ID:32534

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂Si
Molecular Mass
224.76212
Exact Mass
224.05365264
Charge
0
InChI
InChI=1S/C10H13ClN2Si/c1-14(2,3)7-5-8-9(12)4-6-13-10(8)11/h4,6H,1-3H3,(H2,12,13)
InChIKey
XCPLDMMZZOBCFU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc(c1C#C[Si](C)(C)C)Cl
Isomeric Smiles
c1cnc(c(c1N)C#C[Si](C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8104415
LogD (pH = 7.4)
2.8390229
Log P
2.8394
Molar Refractivity
54.7042
Polarizability
23.545307
Polar Surface Area
38.91
Rotatable Bonds
2
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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