1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Formula:C21H23N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.

MolName	1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
MolecularFormula	C21H23N2O3
Smiles	O=C(c(cc1)cc2c1OCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C21H22N2O3/c24-21(18-8-9-19-20(15-18)26-16-25-19)23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+1
InChIK	SDUYOJVMBUNIDP-UHFFFAOYSA-O
TotalMolweight	351.425
Molweight	351.425
MonoisotopicMass	351.170868
CLogP	1.6243
CLogS	-3.379
H Acceptors	5
H Donors	1
TotalSurfaceArea	287.47
Relative PSA	0.18847
PolarSurfaceArea	43.21
Druglikeness	2.8537
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone | 2 - 1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Request More Details | 1,3-benzodioxol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments