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

Formula:C19H21N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C19H21N2O4
Smiles	O=C(/C=C/c1ccco1)N1CC[NH+](Cc(cc2)cc3c2OCO3)CC1
InChI	InChI=1S/C19H20N2O4/c22-19(6-4-16-2-1-11-23-16)21-9-7-20(8-10-21)13-15-3-5-17-18(12-15)25-14-24-17/h1-6,11-12H,7-10,13-14H2/p+1
InChIK	PSZVNUKDWRDSFJ-UHFFFAOYSA-O
TotalMolweight	341.386
Molweight	341.386
MonoisotopicMass	341.150133
CLogP	0.381
CLogS	-2.914
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.16
Relative PSA	0.24639
PolarSurfaceArea	56.35
Druglikeness	1.6922
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments