Molecule

ID:16504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H14N2O.ClH/c1-7-5-9-6-10(12)3-4-11(9)13(7)8(2)14;/h3-4,6-7H,5,12H2,1-2H3;1H
InChIKey
SEKXRJQZLFSTJO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CC(N2C(=O)C)C.Cl
Isomeric Smiles
c12N(C(Cc1cc(cc2)N)C)C(=O)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.69249237
LogD (pH = 7.4)
0.7024316
Log P
0.7025598
Molar Refractivity
56.4657
Polarizability
21.137064
Polar Surface Area
46.33
Rotatable Bonds
0
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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