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

Formula:C17H11N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2-chloroacetate is a drug-like molecule.

MolName	[(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 2-chloroacetate
MolecularFormula	C17H11N3O5Cl2
Smiles	[O-][N+](c(cc1)cc(/C2=N\OC(CCl)=O)c1N(Cc(cc1)ccc1Cl)C2=O)=O
InChI	InChI=1S/C17H11Cl2N3O5/c18-8-15(23)27-20-16-13-7-12(22(25)26)5-6-14(13)21(17(16)24)9-10-1-3-11(19)4-2-10/h1-7H,8-9H2
InChIK	LKHRPAGTCNPVEX-UHFFFAOYSA-N
TotalMolweight	408.196
Molweight	408.196
MonoisotopicMass	407.007576
CLogP	2.7896
CLogS	-5.745
H Acceptors	8
TotalSurfaceArea	280.32
Relative PSA	0.29095
PolarSurfaceArea	104.79
Druglikeness	-4.4394
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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