Molecule

ID:55287

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂O
Molecular Mass
265.17942
Exact Mass
264.07961857
Charge
0
InChI
InChI=1S/C11H16N2O.2ClH/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11;;/h1-2,5,8,11,13H,3-4,6-7,9H2;2*1H
InChIKey
BYNWUFFYDRBMHO-UHFFFAOYSA-N
Canonic Smiles
O1CCC(CC1)NCc1cccnc1.Cl.Cl
Isomeric Smiles
n1cc(CNC2CCOCC2)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8805149
LogD (pH = 7.4)
-1.6951911
Log P
0.2751083
Molar Refractivity
55.6246
Polarizability
21.96531
Polar Surface Area
34.15
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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