Molecule

ID:19573

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂NO
Molecular Mass
194.05846
Exact Mass
193.00611927
Charge
0
InChI
InChI=1S/C7H8ClNO.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKey
ODPNKCFPAODZNI-UHFFFAOYSA-N
Canonic Smiles
COc1c(N)cccc1Cl.Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5854013
LogD (pH = 7.4)
1.5906262
Log P
1.5906932
Molar Refractivity
42.0264
Polarizability
15.88538
Polar Surface Area
35.25
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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