[(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate

Formula:C17H9N2O3Cl5 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate is not a drug-like molecule.

MolName[(E)-[5-chloro-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate
MolecularFormulaC17H9N2O3Cl5
SmilesO=C(C(Cl)Cl)O/N=C(\c(cc(cc1)Cl)c1N1Cc(cc2)cc(Cl)c2Cl)/C1=O
InChIInChI=1S/C17H9Cl5N2O3/c18-9-2-4-13-10(6-9)14(23-27-17(26)15(21)22)16(25)24(13)7-8-1-3-11(19)12(20)5-8/h1-6,15H,7H2
InChIKKGSXWPRWQYGBLW-UHFFFAOYSA-N
TotalMolweight466.534
Molweight466.534
MonoisotopicMass463.905578
CLogP5.3254
CLogS-7.054
H Acceptors5
TotalSurfaceArea301.65
Relative PSA0.16953
PolarSurfaceArea58.97
Druglikeness-1.4161
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.51852
Fragments1
Non HAtoms27
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms1
Amides1
StereoCon

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