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

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

MolName	(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
MolecularFormula	C18H12N2O3Cl2
Smiles	N#C/C(/C(Nc(c(Cl)ccc1)c1Cl)=O)=C\c(cc1)cc2c1OCCO2
InChI	InChI=1S/C18H12Cl2N2O3/c19-13-2-1-3-14(20)17(13)22-18(23)12(10-21)8-11-4-5-15-16(9-11)25-7-6-24-15/h1-5,8-9H,6-7H2,(H,22,23)
InChIK	VISLZQAVTHYVDU-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	none
Reproductive Effective	none
Irritant	high
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
Symmetricatoms	3
Amides	1
StereoCon

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