Molecule
ID:122046
General Information
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H14N2O.ClH/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(13)14;/h3-7,10H,12H2,1-2H3;1H
InChIKey
DMSCFWFZWNBKCR-UHFFFAOYSA-N
Canonic Smiles
CC(N1c2ccccc2C(C1=O)N)C.Cl
Isomeric Smiles
C1(=O)N(c2c(C1N)cccc2)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
14.402591
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0747201
LogD (pH = 7.4)
0.5363034
Log P
0.887459
Molar Refractivity
54.8639
Polarizability
21.5231
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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