[4-[(4E)-4-[(3-nitrophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]urea

Formula:C17H12N4O5 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(4E)-4-[(3-nitrophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]urea is a drug-like molecule.

MolName	[4-[(4E)-4-[(3-nitrophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]urea
MolecularFormula	C17H12N4O5
Smiles	NC(Nc(cc1)ccc1C(OC1=O)=N/C1=C/c1cccc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C17H12N4O5/c18-17(23)19-12-6-4-11(5-7-12)15-20-14(16(22)26-15)9-10-2-1-3-13(8-10)21(24)25/h1-9H,(H3,18,19,23)
InChIK	YJYUPFZLKAJOLM-UHFFFAOYSA-N
TotalMolweight	352.305
Molweight	352.305
MonoisotopicMass	352.080771
CLogP	0.7514
CLogS	-4.984
H Acceptors	9
H Donors	2
TotalSurfaceArea	256.35
Relative PSA	0.40858
PolarSurfaceArea	139.6
Druglikeness	-2.9537
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
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	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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