Molecule

ID:48995

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂O
Molecular Mass
244.76094
Exact Mass
244.13424098
Charge
0
InChI
InChI=1S/C12H20N2O.ClH/c1-3-9-14(10-4-2)12(15)11-5-7-13-8-6-11;/h3-4,11,13H,1-2,5-10H2;1H
InChIKey
LHLXHEHTBMYYLU-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C1CCNCC1)CC=C.Cl
Isomeric Smiles
C(=O)(N(CC=C)CC=C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2428324
LogD (pH = 7.4)
-1.658394
Log P
0.98314136
Molar Refractivity
63.0163
Polarizability
24.360344
Polar Surface Area
32.34
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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