(4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one

Formula:C17H9N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C17H9N2O4F3
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C/c2cccc(C(F)(F)F)c2)c1)=O
InChI	InChI=1S/C17H9F3N2O4/c18-17(19,20)12-5-1-3-10(7-12)8-14-16(23)26-15(21-14)11-4-2-6-13(9-11)22(24)25/h1-9H
InChIK	QKRMWJQIIAZFHA-UHFFFAOYSA-N
TotalMolweight	362.262
Molweight	362.262
MonoisotopicMass	362.051442
CLogP	2.5185
CLogS	-5.157
H Acceptors	6
TotalSurfaceArea	248.08
Relative PSA	0.26189
PolarSurfaceArea	84.48
Druglikeness	-11.36
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one

Request More Details | (4E)-2-(3-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments