(E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

Formula:C22H14N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
MolecularFormula	C22H14N3O4Cl
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1[N+]([O-])=O)=O)=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C22H14ClN3O4/c23-17-9-10-20(21(13-17)26(28)29)25-22(27)16(14-24)11-15-5-4-8-19(12-15)30-18-6-2-1-3-7-18/h1-13H,(H,25,27)
InChIK	DOKKWQIRKDRKDE-UHFFFAOYSA-N
TotalMolweight	419.823
Molweight	419.823
MonoisotopicMass	419.067284
CLogP	4.0683
CLogS	-7.263
H Acceptors	7
H Donors	1
TotalSurfaceArea	317.5
Relative PSA	0.24718
PolarSurfaceArea	107.94
Druglikeness	-6.7885
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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