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

Formula:C20H19N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C20H19N3O5
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C20H19N3O5/c24-20(8-2-15-1-7-18-19(13-15)28-14-27-18)22-11-9-21(10-12-22)16-3-5-17(6-4-16)23(25)26/h1-8,13H,9-12,14H2
InChIK	MWPBSUKOPIFDQD-UHFFFAOYSA-N
TotalMolweight	381.387
Molweight	381.387
MonoisotopicMass	381.132472
CLogP	2.4575
CLogS	-4.214
H Acceptors	8
TotalSurfaceArea	283.34
Relative PSA	0.24903
PolarSurfaceArea	87.83
Druglikeness	0.21135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments