(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide

Formula:C12H9N5O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
MolecularFormula	C12H9N5O4F2
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Nc2ncn[nH]2)=O)c1OC(F)F)=O
InChI	InChI=1S/C12H9F2N5O4/c13-11(14)23-9-3-2-8(19(21)22)5-7(9)1-4-10(20)17-12-15-6-16-18-12/h1-6,11H,(H2,15,16,17,18,20)
InChIK	VMCBSRNWWFYNFF-UHFFFAOYSA-N
TotalMolweight	325.23
Molweight	325.23
MonoisotopicMass	325.062261
CLogP	0.5235
CLogS	-3.801
H Acceptors	9
H Donors	2
TotalSurfaceArea	234.69
Relative PSA	0.42972
PolarSurfaceArea	125.72
Druglikeness	-5.813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide | 2 - (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide

Request More Details | (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments