(4Z)-2-(2,4-dichlorophenyl)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-oxazol-5-one

Formula:C25H14N3O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2,4-dichlorophenyl)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(2,4-dichlorophenyl)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C25H14N3O2Cl2F
Smiles	O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F
InChI	InChI=1S/C25H14Cl2FN3O2/c26-17-8-11-20(21(27)13-17)24-29-22(25(32)33-24)12-16-14-31(19-4-2-1-3-5-19)30-23(16)15-6-9-18(28)10-7-15/h1-14H
InChIK	ZWIWUABOYLYHCW-UHFFFAOYSA-N
TotalMolweight	478.309
Molweight	478.309
MonoisotopicMass	477.044709
CLogP	4.8236
CLogS	-7.218
H Acceptors	5
TotalSurfaceArea	339.62
Relative PSA	0.15426
PolarSurfaceArea	56.48
Druglikeness	2.034
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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