Molecule

ID:55670

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂NOS
Molecular Mass
276.18214
Exact Mass
274.99384034
Charge
0
InChI
InChI=1S/C11H10ClNOS.ClH/c1-14-9-4-2-8(3-5-9)11-13-7-10(6-12)15-11;/h2-5,7H,6H2,1H3;1H
InChIKey
QIUAVNIIWRBODQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ncc(s1)CCl.Cl
Isomeric Smiles
c1(ncc(s1)CCl)c1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2185636
LogD (pH = 7.4)
3.2188158
Log P
3.2188191
Molar Refractivity
72.4822
Polarizability
24.55823
Polar Surface Area
22.12
Rotatable Bonds
3
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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