Molecule

ID:32179

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂NO
Molecular Mass
236.1382
Exact Mass
235.05306947
Charge
0
InChI
InChI=1S/C10H14ClNO.ClH/c1-7(2)13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,6,12H2,1-2H3;1H
InChIKey
WXKSSTAVIPPHRF-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(Cl)ccc1OC(C)C.Cl
Isomeric Smiles
c1(c(OC(C)C)ccc(c1)Cl)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.53715205
LogD (pH = 7.4)
0.88339984
Log P
2.3187706
Molar Refractivity
54.9668
Polarizability
21.746895
Polar Surface Area
35.25
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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