3-(3-nitrophenyl)-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2H-1,2-oxazol-5-one

Formula:C20H12N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(3-nitrophenyl)-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2H-1,2-oxazol-5-one is a drug-like molecule.

MolName	3-(3-nitrophenyl)-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2H-1,2-oxazol-5-one
MolecularFormula	C20H12N2O5
Smiles	[O-][N+](c1cc(C(NO2)=C(/C=C(/c(cccc3)c3C=C3)\C3=O)C2=O)ccc1)=O
InChI	InChI=1S/C20H12N2O5/c23-18-9-8-12-4-1-2-7-15(12)16(18)11-17-19(21-27-20(17)24)13-5-3-6-14(10-13)22(25)26/h1-11,21H
InChIK	KSJRUGMLAFXHDI-UHFFFAOYSA-N
TotalMolweight	360.324
Molweight	360.324
MonoisotopicMass	360.074623
CLogP	1.7287
CLogS	-4.393
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.78
Relative PSA	0.29895
PolarSurfaceArea	101.22
Druglikeness	-6.2743
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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1 - 3-(3-nitrophenyl)-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2H-1,2-oxazol-5-one | 2 - 3-(3-nitrophenyl)-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2H-1,2-oxazol-5-one

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