Molecule

ID:41124

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂O₂
Molecular Mass
259.08872
Exact Mass
257.99628287
Charge
0
InChI
InChI=1S/C10H8Cl2N2O2/c1-2-16-10(15)8-9(12)14-5-6(11)3-4-7(14)13-8/h3-5H,2H2,1H3
InChIKey
HPVWUQQWDKOQHN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1Cl)cc(cc2)Cl
Isomeric Smiles
c1(c(n2c(n1)ccc(c2)Cl)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.227838
LogD (pH = 7.4)
2.2287726
Log P
2.2287846
Molar Refractivity
61.949
Polarizability
23.489471
Polar Surface Area
43.6
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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