Molecule

ID:33122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O
Molecular Mass
247.12108
Exact Mass
246.03266837
Charge
0
InChI
InChI=1S/C10H11ClN2O.ClH/c1-6-4-8-9(5-7(6)11)14-10(13-8)2-3-12;/h4-5H,2-3,12H2,1H3;1H
InChIKey
YXDGVYRAQJKFPH-UHFFFAOYSA-N
Canonic Smiles
NCCc1oc2c(n1)cc(c(c2)Cl)C.Cl
Isomeric Smiles
n1c(oc2c1cc(c(c2)Cl)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0882002
LogD (pH = 7.4)
0.01808157
Log P
1.8732791
Molar Refractivity
55.0689
Polarizability
22.582891
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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