Molecule

ID:121198

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2
InChIKey
IJBAMIDPBSIHMX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(N)ccc1Cl)N1CCOCC1
Isomeric Smiles
c1(C(=O)N2CCOCC2)c(ccc(c1)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8272362
LogD (pH = 7.4)
0.8278487
Log P
0.82785654
Molar Refractivity
63.5095
Polarizability
23.55909
Polar Surface Area
55.56
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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