Molecule

ID:48754

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11;/h4-8,10H,3,9,13H2,1-2H3;1H
InChIKey
RWTXTPDYEILBGA-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(N)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5069498
LogD (pH = 7.4)
0.12272688
Log P
1.1429793
Molar Refractivity
61.4741
Polarizability
24.117332
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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