Molecule

ID:34155

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O
Molecular Mass
261.14766
Exact Mass
260.04831844
Charge
0
InChI
InChI=1S/C11H13ClN2O.ClH/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10;/h3-6,10,13H,1-2,7H2,(H,14,15);1H/t10-;/m0./s1
InChIKey
DWKXYJRPSJKOQH-PPHPATTJSA-N
Canonic Smiles
O=C([C@@H]1CCCN1)Nc1ccc(cc1)Cl.Cl
Isomeric Smiles
C1N[C@@H](CC1)C(=O)Nc1ccc(cc1)Cl.Cl
Calculated Properties
JChem
Acid pKa
13.3219595
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2268674
LogD (pH = 7.4)
-0.10706655
Log P
1.9412051
Molar Refractivity
61.1464
Polarizability
23.397406
Polar Surface Area
41.13
Rotatable Bonds
2
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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