Molecule

ID:47090

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c1-2-9-7-10(3-4-12(9)13)15-11-5-6-14-8-11;/h3-4,7,11,14H,2,5-6,8H2,1H3;1H
InChIKey
WFBVWBKFXKAHOD-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(ccc1Cl)OC1CNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OC1CCNC1)Cl)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2689322
LogD (pH = 7.4)
0.21947396
Log P
2.9614077
Molar Refractivity
62.2592
Polarizability
24.627836
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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