4-chloro-3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C17H11N4O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-chloro-3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C17H11N4O5Cl
Smiles	[O-][N+](c(cc1)cnc1N/N=C/c1ccc(-c(cc(cc2)C(O)=O)c2Cl)o1)=O
InChI	InChI=1S/C17H11ClN4O5/c18-14-4-1-10(17(23)24)7-13(14)15-5-3-12(27-15)9-20-21-16-6-2-11(8-19-16)22(25)26/h1-9H,(H,19,21)(H,23,24)
InChIK	KIZZFQSXCFUKOP-UHFFFAOYSA-N
TotalMolweight	386.75
Molweight	386.75
MonoisotopicMass	386.041798
CLogP	4.2998
CLogS	-5.548
H Acceptors	9
H Donors	2
TotalSurfaceArea	280.64
Relative PSA	0.37276
PolarSurfaceArea	133.54
Druglikeness	-0.79092
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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