(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Formula:C16H9N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C16H9N2O5Cl
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C\c(cc(cc2)Cl)c2O)c1)=O
InChI	InChI=1S/C16H9ClN2O5/c17-11-4-5-14(20)10(6-11)8-13-16(21)24-15(18-13)9-2-1-3-12(7-9)19(22)23/h1-8,20H
InChIK	ATGQEGNCLJMLGB-UHFFFAOYSA-N
TotalMolweight	344.709
Molweight	344.709
MonoisotopicMass	344.02
CLogP	1.9305
CLogS	-4.819
H Acceptors	7
H Donors	1
TotalSurfaceArea	240.39
Relative PSA	0.32476
PolarSurfaceArea	104.71
Druglikeness	-4.0154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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