Molecule

ID:16068

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆Cl₂N₂O
Molecular Mass
287.18494
Exact Mass
286.0639685
Charge
0
InChI
InChI=1S/C13H14N2O.2ClH/c1-16-12-4-2-10(3-5-12)13(14)11-6-8-15-9-7-11;;/h2-9,13H,14H2,1H3;2*1H
InChIKey
SGLYJUKXJQASFI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccncc1)N.Cl.Cl
Isomeric Smiles
C(c1ccc(cc1)OC)(c1ccncc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3488926
LogD (pH = 7.4)
0.07477038
Log P
1.5079107
Molar Refractivity
63.1205
Polarizability
24.916773
Polar Surface Area
48.14
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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