Molecule

ID:48700

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H17ClN2O/c1-15(9-10-5-7-16-8-6-10)12-4-2-3-11(13)14-12/h2-4,10H,5-9H2,1H3
InChIKey
MWZZUYJMSPCETB-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)Cl)CC1CCOCC1
Isomeric Smiles
n1c(N(CC2CCOCC2)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7035985
LogD (pH = 7.4)
2.7040775
Log P
2.7040834
Molar Refractivity
67.8028
Polarizability
25.36067
Polar Surface Area
25.36
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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