Molecule

ID:20665

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O
Molecular Mass
279.206
Exact Mass
278.09526863
Charge
0
InChI
InChI=1S/C12H18N2O.2ClH/c1-2-7-14-12(5-1)10-15-9-11-4-3-6-13-8-11;;/h1-2,5,7,11,13H,3-4,6,8-10H2;2*1H
InChIKey
GSDOGYFSOSQZKB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COCc1ccccn1.Cl.Cl
Isomeric Smiles
N1CC(COCc2ncccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3786414
LogD (pH = 7.4)
-1.8556495
Log P
0.8587377
Molar Refractivity
59.8216
Polarizability
23.808521
Polar Surface Area
34.15
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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