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

Formula:C17H10N3O5Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate is a drug-like molecule.

MolName	[(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate
MolecularFormula	C17H10N3O5Cl3
Smiles	[O-][N+](c(cc1)cc(/C2=N\OC(C(Cl)Cl)=O)c1N(Cc(cc1)ccc1Cl)C2=O)=O
InChI	InChI=1S/C17H10Cl3N3O5/c18-10-3-1-9(2-4-10)8-22-13-6-5-11(23(26)27)7-12(13)14(16(22)24)21-28-17(25)15(19)20/h1-7,15H,8H2
InChIK	ZXOOSOHABUQWCT-UHFFFAOYSA-N
TotalMolweight	442.641
Molweight	442.641
MonoisotopicMass	440.968603
CLogP	3.1918
CLogS	-6.042
H Acceptors	8
TotalSurfaceArea	294.48
Relative PSA	0.27696
PolarSurfaceArea	104.79
Druglikeness	-6.4516
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate | 2 - [(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2,2-dichloroacetate

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