N-[(E)-1-(2-hydroxyphenyl)-3-[(2Z)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H20N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-(2-hydroxyphenyl)-3-[(2Z)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(2-hydroxyphenyl)-3-[(2Z)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H20N4O6
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cccc2)c2O)=O)o1)=O
InChI	InChI=1S/C27H20N4O6/c32-24-9-5-4-8-20(24)16-23(29-26(33)19-6-2-1-3-7-19)27(34)30-28-17-22-14-15-25(37-22)18-10-12-21(13-11-18)31(35)36/h1-17,32H,(H,29,33)(H,30,34)
InChIK	SFWBHLYJZNERSI-UHFFFAOYSA-N
TotalMolweight	496.478
Molweight	496.478
MonoisotopicMass	496.138286
CLogP	4.4899
CLogS	-7.09
H Acceptors	10
H Donors	3
TotalSurfaceArea	380.14
Relative PSA	0.31078
PolarSurfaceArea	149.75
Druglikeness	2.9882
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-1-(2-hydroxyphenyl)-3-[(2Z)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(2-hydroxyphenyl)-3-[(2Z)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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