(E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(2,4-dichlorophenyl)prop-2-en-1-one

Formula:C17H13NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(2,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C17H13NO3Cl2
Smiles	O=C(/C=C/NCc(cc1)cc2c1OCO2)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H13Cl2NO3/c18-12-2-3-13(14(19)8-12)15(21)5-6-20-9-11-1-4-16-17(7-11)23-10-22-16/h1-8,20H,9-10H2
InChIK	CSZMVLBQZNALGC-UHFFFAOYSA-N
TotalMolweight	350.2
Molweight	350.2
MonoisotopicMass	349.027248
CLogP	3.5073
CLogS	-5.785
H Acceptors	4
H Donors	1
TotalSurfaceArea	253.59
Relative PSA	0.17548
PolarSurfaceArea	47.56
Druglikeness	1.1001
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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