(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile

Formula:C16H9N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C16H9N3O6
Smiles	N#C/C(/c1cc([N+]([O-])=O)ccc1)=C\c(cc1OCOc1c1)c1[N+]([O-])=O
InChI	InChI=1S/C16H9N3O6/c17-8-12(10-2-1-3-13(5-10)18(20)21)4-11-6-15-16(25-9-24-15)7-14(11)19(22)23/h1-7H,9H2
InChIK	DAAKBLXYYRIQFS-UHFFFAOYSA-N
TotalMolweight	339.262
Molweight	339.262
MonoisotopicMass	339.049137
CLogP	1.6008
CLogS	-5.26
H Acceptors	9
TotalSurfaceArea	247.04
Relative PSA	0.38212
PolarSurfaceArea	133.89
Druglikeness	-10.17
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile | 2 - (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile

Request More Details | (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments