Molecule

ID:48748

General Information
Structure
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-9(12)11(14)13(2)8-10-6-4-3-5-7-10;/h3-7,9H,8,12H2,1-2H3;1H
InChIKey
MXZWQFWPFSAZEF-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N(Cc1ccccc1)C)N.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8639425
LogD (pH = 7.4)
-0.2343642
Log P
0.7861713
Molar Refractivity
56.7255
Polarizability
22.272627
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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