Molecule

ID:24160

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃Cl₂NO
Molecular Mass
222.11162
Exact Mass
221.0374194
Charge
0
InChI
InChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-8(9)7-12-6-5-11;/h1-4H,5-7,11H2;1H
InChIKey
FRIRXRYZWDEJDY-UHFFFAOYSA-N
Canonic Smiles
NCCOCc1ccccc1Cl.Cl
Isomeric Smiles
c1(c(cccc1)Cl)COCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.326972
LogD (pH = 7.4)
-0.35093188
Log P
1.6560835
Molar Refractivity
50.3797
Polarizability
19.931892
Polar Surface Area
35.25
Rotatable Bonds
4
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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