Molecule

ID:59317

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₂O₂
Molecular Mass
246.73376
Exact Mass
246.11350554
Charge
0
InChI
InChI=1S/C11H19ClN2O2/c1-5-15-10(16-6-2)7-14-9(4)11(12)8(3)13-14/h10H,5-7H2,1-4H3
InChIKey
JFUPTSPWUBPIBH-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1nc(c(c1C)Cl)C)OCC
Isomeric Smiles
n1(nc(c(c1C)Cl)C)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2811334
LogD (pH = 7.4)
2.2816188
Log P
2.281625
Molar Refractivity
75.8292
Polarizability
24.957804
Polar Surface Area
36.28
Rotatable Bonds
6
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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