N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide

Formula:C24H17N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide is a drug-like molecule.

MolName	N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide
MolecularFormula	C24H17N3O5
Smiles	[O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2NC(c2cc(cccc3)c3o2)=O)=O)ccc1)=O
InChI	InChI=1S/C24H17N3O5/c28-23(13-8-16-4-3-6-20(14-16)27(30)31)25-18-9-11-19(12-10-18)26-24(29)22-15-17-5-1-2-7-21(17)32-22/h1-15H,(H,25,28)(H,26,29)
InChIK	SZGJODZOUHZDIY-UHFFFAOYSA-N
TotalMolweight	427.415
Molweight	427.415
MonoisotopicMass	427.116822
CLogP	3.8678
CLogS	-6.653
H Acceptors	8
H Donors	2
TotalSurfaceArea	325.66
Relative PSA	0.2872
PolarSurfaceArea	117.16
Druglikeness	-4.7878
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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