4-[[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate

Formula:C14H9N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate is not a drug-like molecule.

MolName	4-[[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
MolecularFormula	C14H9N4O7
Smiles	[O-]C(c(cc1)ccc1NC(C(N/N=C\c1ccc([N+]([O-])=O)o1)=O)=O)=O
InChI	InChI=1S/C14H10N4O7/c19-12(16-9-3-1-8(2-4-9)14(21)22)13(20)17-15-7-10-5-6-11(25-10)18(23)24/h1-7H,(H,16,19)(H,17,20)(H,21,22)/p-1
InChIK	RNLCIEBMEQDTCS-UHFFFAOYSA-M
TotalMolweight	345.246
Molweight	345.246
MonoisotopicMass	345.047126
CLogP	-1.8285
CLogS	-4.205
H Acceptors	11
H Donors	2
TotalSurfaceArea	254.84
Relative PSA	0.51938
PolarSurfaceArea	169.65
Druglikeness	2.2125
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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