Molecule

ID:46931

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11;/h4-5,7,11,14H,2-3,6,8H2,1H3;1H
InChIKey
HTRFXOSXWKVGPZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)C)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13475144
LogD (pH = 7.4)
0.9806982
Log P
3.0342016
Molar Refractivity
62.3028
Polarizability
24.629295
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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