(E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile

Formula:C23H13N2O4Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile
MolecularFormula	C23H13N2O4Cl3
Smiles	N#C/C(/C(c1cc([N+]([O-])=O)ccc1)=O)=C\c(cc(cc1)Cl)c1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H13Cl3N2O4/c24-18-6-7-22(32-13-15-4-5-19(25)11-21(15)26)16(9-18)8-17(12-27)23(29)14-2-1-3-20(10-14)28(30)31/h1-11H,13H2
InChIK	FHIRQABFPSYEKW-UHFFFAOYSA-N
TotalMolweight	487.725
Molweight	487.725
MonoisotopicMass	485.994089
CLogP	5.4003
CLogS	-8.121
H Acceptors	6
TotalSurfaceArea	350.64
Relative PSA	0.19114
PolarSurfaceArea	95.91
Druglikeness	-8.9528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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