Molecule

ID:20932

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-3-1-2-10(8-11)9-15-12-4-6-14-7-5-12;/h1-3,8,12,14H,4-7,9H2;1H
InChIKey
MDLPHUQIBYXBJV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COC1CCNCC1.Cl
Isomeric Smiles
N1CCC(OCc2cc(Cl)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1231084
LogD (pH = 7.4)
-0.4346854
Log P
2.0968254
Molar Refractivity
62.5863
Polarizability
24.721756
Polar Surface Area
21.26
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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