Molecule

ID:48851

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O
Molecular Mass
218.72366
Exact Mass
218.11859092
Charge
0
InChI
InChI=1S/C10H18N2O.ClH/c1-5-7-12(8-6-2)9(13)10(3,4)11;/h5-6H,1-2,7-8,11H2,3-4H3;1H
InChIKey
JSZAIEZEJWKRIF-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C(N)(C)C)CC=C.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CC=C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8232763
LogD (pH = 7.4)
-0.29548436
Log P
0.9569637
Molar Refractivity
55.1516
Polarizability
21.405428
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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