N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide

Formula:C14H9N6O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide
MolecularFormula	C14H9N6O4Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\NC(c2ncn[nH]2)=O)o1)=O
InChI	InChI=1S/C14H9BrN6O4/c15-11-5-8(21(23)24)1-3-10(11)12-4-2-9(25-12)6-17-20-14(22)13-16-7-18-19-13/h1-7H,(H,20,22)(H,16,18,19)
InChIK	BRNQYQYZZCTOTC-UHFFFAOYSA-N
TotalMolweight	405.167
Molweight	405.167
MonoisotopicMass	403.986865
CLogP	1.6035
CLogS	-4.709
H Acceptors	10
H Donors	2
TotalSurfaceArea	265.83
Relative PSA	0.43814
PolarSurfaceArea	141.99
Druglikeness	0.97717
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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