Molecule

ID:34042

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂N₂O
Molecular Mass
275.17424
Exact Mass
274.0639685
Charge
0
InChI
InChI=1S/C12H15ClN2O.ClH/c13-10-5-3-9(4-6-10)12(16)15-7-1-2-11(14)8-15;/h3-6,11H,1-2,7-8,14H2;1H
InChIKey
BPALJZWKIMIRED-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)c1ccc(cc1)Cl.Cl
Isomeric Smiles
N1(C(=O)c2ccc(cc2)Cl)CC(N)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4355412
LogD (pH = 7.4)
-0.43394145
Log P
1.5438637
Molar Refractivity
64.8956
Polarizability
25.039068
Polar Surface Area
46.33
Rotatable Bonds
1
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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