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

Formula:C20H15N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
MolecularFormula	C20H15N3O5
Smiles	[O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2NC(c2ccco2)=O)=O)ccc1)=O
InChI	InChI=1S/C20H15N3O5/c24-19(11-6-14-3-1-4-17(13-14)23(26)27)21-15-7-9-16(10-8-15)22-20(25)18-5-2-12-28-18/h1-13H,(H,21,24)(H,22,25)
InChIK	JOLZNMWPHTYCQO-UHFFFAOYSA-N
TotalMolweight	377.355
Molweight	377.355
MonoisotopicMass	377.101172
CLogP	2.5509
CLogS	-5.152
H Acceptors	8
H Donors	2
TotalSurfaceArea	291.06
Relative PSA	0.32134
PolarSurfaceArea	117.16
Druglikeness	-4.9386
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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