Molecule

ID:15312

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKey
BCIBZDPCIXKHCC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2ccccc2Cl)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7074427
LogD (pH = 7.4)
-0.24667192
Log P
2.5239782
Molar Refractivity
62.3004
Polarizability
24.732185
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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