4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate

Formula:C14H10N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	4-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]benzoate
MolecularFormula	C14H10N3O5
Smiles	[O-]C(c(cc1)ccc1N/N=C\C=C\c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C14H11N3O5/c18-14(19)10-3-5-11(6-4-10)16-15-9-1-2-12-7-8-13(22-12)17(20)21/h1-9,16H,(H,18,19)/p-1
InChIK	JBJXFVMXTOQXQK-UHFFFAOYSA-M
TotalMolweight	300.249
Molweight	300.249
MonoisotopicMass	300.062047
CLogP	0.8868
CLogS	-4.121
H Acceptors	8
H Donors	1
TotalSurfaceArea	234.38
Relative PSA	0.40456
PolarSurfaceArea	123.48
Druglikeness	-0.70189
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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