(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Formula:C18H12N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
MolecularFormula	C18H12N2O3Cl2
Smiles	N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C\c(cc1)cc2c1OCCO2
InChI	InChI=1S/C18H12Cl2N2O3/c19-13-2-3-14(20)15(9-13)22-18(23)12(10-21)7-11-1-4-16-17(8-11)25-6-5-24-16/h1-4,7-9H,5-6H2,(H,22,23)
InChIK	ZKPFBPLMQUQQSU-UHFFFAOYSA-N
TotalMolweight	375.21
Molweight	375.21
MonoisotopicMass	374.022497
CLogP	4.1791
CLogS	-5.424
H Acceptors	5
H Donors	1
TotalSurfaceArea	273.51
Relative PSA	0.21228
PolarSurfaceArea	71.35
Druglikeness	-8.7928
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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