3-[5-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C20H15N3O7 Mutagenic:high Tumorigenic:high Reproductive Effective:low 3-[5-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C20H15N3O7
Smiles	[O-][N+](c(cccc1)c1OCC(N/N=C\c1ccc(-c2cc(C(O)=O)ccc2)o1)=O)=O
InChI	InChI=1S/C20H15N3O7/c24-19(12-29-18-7-2-1-6-16(18)23(27)28)22-21-11-15-8-9-17(30-15)13-4-3-5-14(10-13)20(25)26/h1-11H,12H2,(H,22,24)(H,25,26)
InChIK	KFVHAKJPTHRPEC-UHFFFAOYSA-N
TotalMolweight	409.353
Molweight	409.353
MonoisotopicMass	409.091002
CLogP	2.2789
CLogS	-5.434
H Acceptors	10
H Donors	2
TotalSurfaceArea	307.97
Relative PSA	0.37887
PolarSurfaceArea	146.95
Druglikeness	1.2496
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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