2-(2,4-dichlorophenyl)-N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]quinoline-4-carboxamide

Formula:C27H17N5O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenyl)-N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.

MolName	2-(2,4-dichlorophenyl)-N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]quinoline-4-carboxamide
MolecularFormula	C27H17N5O3Cl2
Smiles	[O-][N+](c1cccc(-n2c(/C=N\NC(c3cc(-c(ccc(Cl)c4)c4Cl)nc4ccccc34)=O)ccc2)c1)=O
InChI	InChI=1S/C27H17Cl2N5O3/c28-17-10-11-22(24(29)13-17)26-15-23(21-8-1-2-9-25(21)31-26)27(35)32-30-16-20-7-4-12-33(20)18-5-3-6-19(14-18)34(36)37/h1-16H,(H,32,35)
InChIK	HADFFUQHTACAAA-UHFFFAOYSA-N
TotalMolweight	530.37
Molweight	530.37
MonoisotopicMass	529.070844
CLogP	5.7971
CLogS	-10.474
H Acceptors	8
H Donors	1
TotalSurfaceArea	383.58
Relative PSA	0.21969
PolarSurfaceArea	105.1
Druglikeness	0.36337
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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