(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

Formula:C16H8N2OCl4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
MolecularFormula	C16H8N2OCl4
Smiles	N#C/C(/C(Nc1cccc(Cl)c1Cl)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C16H8Cl4N2O/c17-11-3-1-4-12(18)10(11)7-9(8-21)16(23)22-14-6-2-5-13(19)15(14)20/h1-7H,(H,22,23)
InChIK	ZJBJEJMDFSBZLZ-UHFFFAOYSA-N
TotalMolweight	386.065
Molweight	386.065
MonoisotopicMass	383.939071
CLogP	5.4123
CLogS	-6.714
H Acceptors	3
H Donors	1
TotalSurfaceArea	270.33
Relative PSA	0.14079
PolarSurfaceArea	52.89
Druglikeness	-1.7015
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	3
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide | 2 - (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

Request More Details | (E)-2-cyano-N-(2,3-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments