Molecule

ID:124247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-12-9-11(14)13-8-7-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3,(H,13,14);1H
InChIKey
SOWLZOOTTCASKP-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NCCc1ccccc1.Cl
Isomeric Smiles
C(=O)(NCCc1ccccc1)CNC.Cl
Calculated Properties
JChem
Acid pKa
15.931582
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2562096
LogD (pH = 7.4)
-0.69975364
Log P
0.7149726
Molar Refractivity
56.8645
Polarizability
22.274729
Polar Surface Area
41.13
Rotatable Bonds
5
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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