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

Formula:C18H13N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-chloropropanoate is a drug-like molecule.

MolName	[(E)-[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-chloropropanoate
MolecularFormula	C18H13N3O5Cl2
Smiles	[O-][N+](c(cc1)cc(/C2=N\OC(CCCl)=O)c1N(Cc(cc1)ccc1Cl)C2=O)=O
InChI	InChI=1S/C18H13Cl2N3O5/c19-8-7-16(24)28-21-17-14-9-13(23(26)27)5-6-15(14)22(18(17)25)10-11-1-3-12(20)4-2-11/h1-6,9H,7-8,10H2
InChIK	YDEPGJKLWUQNLS-UHFFFAOYSA-N
TotalMolweight	422.223
Molweight	422.223
MonoisotopicMass	421.023226
CLogP	3.244
CLogS	-6.015
H Acceptors	8
TotalSurfaceArea	294.08
Relative PSA	0.27734
PolarSurfaceArea	104.79
Druglikeness	-6.3607
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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