Molecule

ID:55277

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈Cl₂N₂O
Molecular Mass
289.20082
Exact Mass
288.07961857
Charge
0
InChI
InChI=1S/C13H17ClN2O.ClH/c14-11-3-1-10(2-4-11)9-13(17)16-7-5-12(15)6-8-16;/h1-4,12H,5-9,15H2;1H
InChIKey
NBSGWFGPLKWCNN-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)Cc1ccc(cc1)Cl.Cl
Isomeric Smiles
N1(C(=O)Cc2ccc(Cl)cc2)CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9512007
LogD (pH = 7.4)
-1.382267
Log P
1.0666261
Molar Refractivity
69.1678
Polarizability
27.0852
Polar Surface Area
46.33
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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