Molecule

ID:48805

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10;/h2-6H,7-9,12H2,1H3;1H
InChIKey
VDDSXWPSAQPRPC-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(Cc1ccccc1)C.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4796317
LogD (pH = 7.4)
-1.256894
Log P
0.45441982
Molar Refractivity
56.931
Polarizability
22.272627
Polar Surface Area
46.33
Rotatable Bonds
4
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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