Molecule

ID:32196

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-13(2)11(14)7-6-9-4-3-5-10(12)8-9;/h3-5,8H,6-7,12H2,1-2H3;1H
InChIKey
HEOBCONXLLWHIE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CCC(=O)N(C)C.Cl
Isomeric Smiles
C(=O)(N(C)C)CCc1cc(N)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.83537966
LogD (pH = 7.4)
0.8666328
Log P
0.86704636
Molar Refractivity
58.2826
Polarizability
21.883064
Polar Surface Area
46.33
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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