Molecule

ID:55950

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O
Molecular Mass
255.10002
Exact Mass
254.00136825
Charge
0
InChI
InChI=1S/C11H8Cl2N2O/c1-7-10(6-16)11(13)15(14-7)9-4-2-3-8(12)5-9/h2-6H,1H3
InChIKey
YSHYNOWWLSEUKJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1Cl)c1cccc(c1)Cl
Isomeric Smiles
n1(c(c(c(n1)C)C=O)Cl)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.825999
LogD (pH = 7.4)
2.8260365
Log P
2.826037
Molar Refractivity
65.2059
Polarizability
24.884676
Polar Surface Area
34.89
Rotatable Bonds
2
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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