Molecule

ID:87564

General Information
Structure
Molecular Formula
C₁₂H₁₃NSi
Molecular Mass
199.32382
Exact Mass
199.08172595
Charge
0
InChI
InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,1-3H3
InChIKey
OSJJQDZTHSMKBV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1C#C[Si](C)(C)C
Isomeric Smiles
N#Cc1c(cccc1)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8608
LogD (pH = 7.4)
3.8608
Log P
3.8608
Molar Refractivity
52.0162
Polarizability
23.209862
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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