Molecule

ID:46366

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10;/h1-4,10,14H,5-9H2;1H
InChIKey
NPNOVFURRHTGCO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COCC1CNCC1.Cl
Isomeric Smiles
c1(c(Cl)cccc1)COCC1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0860636
LogD (pH = 7.4)
-0.97945166
Log P
2.1544142
Molar Refractivity
62.7045
Polarizability
24.727058
Polar Surface Area
21.26
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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