5-bromo-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

Formula:C17H10N3O2BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-bromo-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
MolecularFormula	C17H10N3O2BrCl2
Smiles	O=C(c1cc(Br)cnc1)N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C17H10BrCl2N3O2/c18-11-5-10(7-21-8-11)17(24)23-22-9-13-2-4-16(25-13)14-6-12(19)1-3-15(14)20/h1-9H,(H,23,24)
InChIK	YDBDZARCKDMDRW-UHFFFAOYSA-N
TotalMolweight	439.095
Molweight	439.095
MonoisotopicMass	436.933342
CLogP	5.0768
CLogS	-6.692
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.67
Relative PSA	0.2146
PolarSurfaceArea	67.49
Druglikeness	4.7037
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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