(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamide

Formula:C22H13N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamide
MolecularFormula	C22H13N4O6Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C/c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C22H13ClN4O6/c23-16-3-5-17(6-4-16)25-22(28)15(13-24)11-14-1-8-19(9-2-14)33-21-10-7-18(26(29)30)12-20(21)27(31)32/h1-12H,(H,25,28)
InChIK	DZMLLTPUEMLQJT-UHFFFAOYSA-N
TotalMolweight	464.82
Molweight	464.82
MonoisotopicMass	464.052363
CLogP	3.1467
CLogS	-7.723
H Acceptors	10
H Donors	1
TotalSurfaceArea	341.17
Relative PSA	0.3192
PolarSurfaceArea	153.76
Druglikeness	-6.7885
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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