6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione

Formula:C21H11NO6 Mutagenic:high Tumorigenic:high Reproductive Effective:low 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione is a drug-like molecule.

MolName	6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
MolecularFormula	C21H11NO6
Smiles	[O-][N+](c1ccc(/C=C/C(c(ccc2cccc(C(O3)=O)c22)c2C3=O)=O)cc1)=O
InChI	InChI=1S/C21H11NO6/c23-17(11-6-12-4-8-14(9-5-12)22(26)27)15-10-7-13-2-1-3-16-18(13)19(15)21(25)28-20(16)24/h1-11H
InChIK	KUEPLFZAYUBNOB-UHFFFAOYSA-N
TotalMolweight	373.319
Molweight	373.319
MonoisotopicMass	373.058639
CLogP	2.8012
CLogS	-6.413
H Acceptors	7
TotalSurfaceArea	267.54
Relative PSA	0.2973
PolarSurfaceArea	106.26
Druglikeness	-18.728
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions	anhydride; aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione | 2 - 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione

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