Molecule

ID:32185

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂NO
Molecular Mass
236.1382
Exact Mass
235.05306947
Charge
0
InChI
InChI=1S/C10H14ClNO.ClH/c1-2-5-13-10-4-3-9(11)6-8(10)7-12;/h3-4,6H,2,5,7,12H2,1H3;1H
InChIKey
QLJPXIKYVVOXHE-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1CN)Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.43170026
LogD (pH = 7.4)
0.98795474
Log P
2.424718
Molar Refractivity
55.072
Polarizability
21.746986
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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