Molecule

ID:15512

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O
Molecular Mass
255.10002
Exact Mass
254.00136825
Charge
0
InChI
InChI=1S/C11H8Cl2N2O/c1-15-10(16)6-9(13)11(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKey
PCNKRULWWGCYNN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nn(C)c(=O)cc1Cl
Isomeric Smiles
c1(=O)cc(c(nn1C)c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.848389
LogD (pH = 7.4)
2.848389
Log P
2.848389
Molar Refractivity
65.1962
Polarizability
24.248034
Polar Surface Area
32.67
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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