Molecule

ID:43708

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c1-8-3-4-10(9(2)7-8)14-11(15)13-6-5-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15)
InChIKey
BXESVXHFYWTPFV-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc(cc1C)C
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)C)C)NCCCl
Calculated Properties
JChem
Acid pKa
14.172757
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.7924194
LogD (pH = 7.4)
2.7924192
Log P
2.7924194
Molar Refractivity
63.9201
Polarizability
23.542473
Polar Surface Area
41.13
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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