(Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one

Formula:C26H20N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one
MolecularFormula	C26H20N2O6
Smiles	O=C(/C=C\Nc(cc1)ccc1N/C=C\C(c(cc1)cc2c1OCO2)=O)c(cc1)cc2c1OCO2
InChI	InChI=1S/C26H20N2O6/c29-21(17-1-7-23-25(13-17)33-15-31-23)9-11-27-19-3-5-20(6-4-19)28-12-10-22(30)18-2-8-24-26(14-18)34-16-32-24/h1-14,27-28H,15-16H2
InChIK	GSYHROYSTXCKOL-UHFFFAOYSA-N
TotalMolweight	456.453
Molweight	456.453
MonoisotopicMass	456.132138
CLogP	3.5122
CLogS	-7.378
H Acceptors	8
H Donors	2
TotalSurfaceArea	344.72
Relative PSA	0.25818
PolarSurfaceArea	95.12
Druglikeness	0.50521
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	18
StereoCon

Click to Load Molecule:

1 - (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one | 2 - (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one

Request More Details | (Z)-1-(1,3-benzodioxol-5-yl)-3-[4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]anilino]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments