Molecule

ID:47123

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-12-6-2-1-4-10(12)9-15-11-5-3-7-14-8-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H
InChIKey
BYGDTWISTUESCI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COC1CCCNC1.Cl
Isomeric Smiles
c1(c(Cl)cccc1)COC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6361371
LogD (pH = 7.4)
0.3526559
Log P
2.5542283
Molar Refractivity
62.3655
Polarizability
24.727057
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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