[2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C18H14N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C18H14N2O7
Smiles	[O-][N+](c(cccc1)c1NC(COC(/C=C/c(cc1)cc2c1OCO2)=O)=O)=O
InChI	InChI=1S/C18H14N2O7/c21-17(19-13-3-1-2-4-14(13)20(23)24)10-25-18(22)8-6-12-5-7-15-16(9-12)27-11-26-15/h1-9H,10-11H2,(H,19,21)
InChIK	VYSSLRYUVJGNJG-UHFFFAOYSA-N
TotalMolweight	370.316
Molweight	370.316
MonoisotopicMass	370.080103
CLogP	1.884
CLogS	-4.572
H Acceptors	9
H Donors	1
TotalSurfaceArea	274.17
Relative PSA	0.3573
PolarSurfaceArea	119.68
Druglikeness	-4.896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Request More Details | [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments