Molecule

ID:65387

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂BrNSi
Molecular Mass
230.17708
Exact Mass
228.99223792
Charge
0
InChI
InChI=1S/C8H12BrNSi/c1-11(2,3)8-5-4-7(9)6-10-8/h4-6H,1-3H3
InChIKey
NLBFMBYDNYNGEI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)[Si](C)(C)C
Isomeric Smiles
c1(ccc(nc1)[Si](C)(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8045068
LogD (pH = 7.4)
3.8096342
Log P
3.8097
Molar Refractivity
47.901
Polarizability
20.658194
Polar Surface Area
12.89
Rotatable Bonds
1
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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