Molecule

ID:88832

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O
Molecular Mass
247.12108
Exact Mass
246.03266837
Charge
0
InChI
InChI=1S/C10H10N2O.2ClH/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9;;/h2-6H,11H2,1H3;2*1H
InChIKey
AEJDHBQUHLDBMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ncc(c2)N.Cl.Cl
Isomeric Smiles
n1cc(cc2ccc(cc12)OC)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9719515
LogD (pH = 7.4)
1.1415858
Log P
1.1443032
Molar Refractivity
51.1429
Polarizability
20.620771
Polar Surface Area
48.14
Rotatable Bonds
1
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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