(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

Formula:C16H9N3O4ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide
MolecularFormula	C16H9N3O4ClF
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1O)=O)=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C16H9ClFN3O4/c17-12-2-1-3-13(18)11(12)6-9(8-19)16(23)20-14-5-4-10(21(24)25)7-15(14)22/h1-7,22H,(H,20,23)
InChIK	GOOXSKXPSCYUOX-UHFFFAOYSA-N
TotalMolweight	361.715
Molweight	361.715
MonoisotopicMass	361.026562
CLogP	2.4278
CLogS	-4.984
H Acceptors	7
H Donors	2
TotalSurfaceArea	260.44
Relative PSA	0.31324
PolarSurfaceArea	118.94
Druglikeness	-8.1001
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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