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

Formula:C22H12N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(3-chlorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(3-chlorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C22H12N3O7Cl
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c1)=O
InChI	InChI=1S/C22H12ClN3O7/c23-15-5-2-4-14(11-15)21-24-18(22(27)33-21)10-13-3-1-6-17(9-13)32-20-8-7-16(25(28)29)12-19(20)26(30)31/h1-12H
InChIK	MFHGBNHBWKOUGW-UHFFFAOYSA-N
TotalMolweight	465.804
Molweight	465.804
MonoisotopicMass	465.036379
CLogP	2.7502
CLogS	-7.872
H Acceptors	10
TotalSurfaceArea	327.47
Relative PSA	0.32183
PolarSurfaceArea	139.53
Druglikeness	-4.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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