(E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-[4-(2-cyano-4-nitrophenoxy)phenyl]prop-2-enamide

Formula:C23H12N5O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-[4-(2-cyano-4-nitrophenoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-[4-(2-cyano-4-nitrophenoxy)phenyl]prop-2-enamide
MolecularFormula	C23H12N5O6Cl
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1[N+]([O-])=O)=O)=C\c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1C#N
InChI	InChI=1S/C23H12ClN5O6/c24-17-3-7-20(21(11-17)29(33)34)27-23(30)16(13-26)9-14-1-5-19(6-2-14)35-22-8-4-18(28(31)32)10-15(22)12-25/h1-11H,(H,27,30)
InChIK	KQEQPBADBVJPOV-UHFFFAOYSA-N
TotalMolweight	489.83
Molweight	489.83
MonoisotopicMass	489.047612
CLogP	2.9823
CLogS	-8.496
H Acceptors	11
H Donors	1
TotalSurfaceArea	362.88
Relative PSA	0.33747
PolarSurfaceArea	177.55
Druglikeness	-6.7885
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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