Molecule

ID:15132

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O
Molecular Mass
279.206
Exact Mass
278.09526863
Charge
0
InChI
InChI=1S/C12H18N2O.2ClH/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14;;/h1-5,12H,6-10,13H2;2*1H
InChIKey
SREOOJJUNORFGG-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N1CCOCC1.Cl.Cl
Isomeric Smiles
C(c1ccccc1)(N1CCOCC1)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.078532
LogD (pH = 7.4)
-0.5920588
Log P
0.95892537
Molar Refractivity
61.2952
Polarizability
24.405287
Polar Surface Area
38.49
Rotatable Bonds
3
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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