N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3,4-dichlorobenzamide

Formula:C18H10N3O4BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3,4-dichlorobenzamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3,4-dichlorobenzamide
MolecularFormula	C18H10N3O4BrCl2
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\NC(c(cc2)cc(Cl)c2Cl)=O)o1)=O
InChI	InChI=1S/C18H10BrCl2N3O4/c19-14-8-11(24(26)27)2-4-13(14)17-6-3-12(28-17)9-22-23-18(25)10-1-5-15(20)16(21)7-10/h1-9H,(H,23,25)
InChIK	DOIRUQZCLQCNLM-UHFFFAOYSA-N
TotalMolweight	483.104
Molweight	483.104
MonoisotopicMass	480.923172
CLogP	5.1561
CLogS	-7.947
H Acceptors	7
H Donors	1
TotalSurfaceArea	309.58
Relative PSA	0.26016
PolarSurfaceArea	100.42
Druglikeness	-0.37626
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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