Molecule

ID:44982

General Information
Structure
Molecular Formula
C₁₀H₁₂ClNOSi
Molecular Mass
225.74688
Exact Mass
225.03766822
Charge
0
InChI
InChI=1S/C10H12ClNOSi/c1-14(2,3)10-5-8-9(13-10)4-7(11)6-12-8/h4-6H,1-3H3
InChIKey
WUQLUIMCZRXJGD-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4578795
LogD (pH = 7.4)
3.4578998
Log P
3.4579
Molar Refractivity
52.4919
Polarizability
24.154577
Polar Surface Area
26.03
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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