Molecule

ID:48811

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11;/h3-7H,2,8-10,13H2,1H3;1H
InChIKey
YEAUDMCEPJLTBW-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CCN)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1228225
LogD (pH = 7.4)
-0.900081
Log P
0.8112278
Molar Refractivity
61.6796
Polarizability
24.117332
Polar Surface Area
46.33
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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