(E)-2-(3,4-dichlorophenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile

Formula:C19H15N3O3Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-2-(3,4-dichlorophenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(3,4-dichlorophenyl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C19H15N3O3Cl2
Smiles	N#C/C(/c(cc1)cc(Cl)c1Cl)=C/c(cc1)cc([N+]([O-])=O)c1N1CCOCC1
InChI	InChI=1S/C19H15Cl2N3O3/c20-16-3-2-14(11-17(16)21)15(12-22)9-13-1-4-18(19(10-13)24(25)26)23-5-7-27-8-6-23/h1-4,9-11H,5-8H2
InChIK	KYRFQAYIUYITQD-UHFFFAOYSA-N
TotalMolweight	404.252
Molweight	404.252
MonoisotopicMass	403.049046
CLogP	3.292
CLogS	-5.664
H Acceptors	6
TotalSurfaceArea	295.79
Relative PSA	0.1945
PolarSurfaceArea	82.08
Druglikeness	-7.8247
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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