(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dichlorophenyl)prop-2-en-1-one

Formula:C21H20N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C21H20N2O3Cl2
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)N1CCN(Cc(cc2)cc3c2OCO3)CC1
InChI	InChI=1S/C21H20Cl2N2O3/c22-17-2-1-3-18(23)16(17)5-7-21(26)25-10-8-24(9-11-25)13-15-4-6-19-20(12-15)28-14-27-19/h1-7,12H,8-11,13-14H2
InChIK	XLGNGTHGJLZLRK-UHFFFAOYSA-N
TotalMolweight	419.307
Molweight	419.307
MonoisotopicMass	418.085097
CLogP	4.514
CLogS	-4.704
H Acceptors	5
TotalSurfaceArea	304.27
Relative PSA	0.13192
PolarSurfaceArea	42.01
Druglikeness	6.1776
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	5
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dichlorophenyl)prop-2-en-1-one | 2 - (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dichlorophenyl)prop-2-en-1-one

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