Molecule

ID:55145

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂O₂
Molecular Mass
279.16294
Exact Mass
278.05888312
Charge
0
InChI
InChI=1S/C11H14N2O2.2ClH/c14-11(15)10-5-3-4-9(12-10)8-13-6-1-2-7-13;;/h3-5H,1-2,6-8H2,(H,14,15);2*1H
InChIKey
MIKCOVFTDFLWGY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(n1)CN1CCCC1.Cl.Cl
Isomeric Smiles
c1c(nc(cc1)C(=O)O)CN1CCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.2589555
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4867933
LogD (pH = 7.4)
-1.6303082
Log P
-1.4897078
Molar Refractivity
56.3468
Polarizability
21.77154
Polar Surface Area
53.43
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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