Molecule

ID:51624

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNSi
Molecular Mass
185.72608
Exact Mass
185.0427536
Charge
0
InChI
InChI=1S/C8H12ClNSi/c1-11(2,3)8-6-10-5-4-7(8)9/h4-6H,1-3H3
InChIKey
PNLLUGWIZZVJBE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccncc1[Si](C)(C)C
Isomeric Smiles
c1cncc(c1Cl)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.824832
LogD (pH = 7.4)
2.8371403
Log P
2.8373
Molar Refractivity
44.7695
Polarizability
19.75367
Polar Surface Area
12.89
Rotatable Bonds
1
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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