[(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate

Formula:C17H11N2O8Cl Mutagenic:high Tumorigenic:low Reproductive Effective:high [(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[(Z)-3-chloro-2-(4-nitrobenzoyl)oxyprop-2-enyl] 4-nitrobenzoate
MolecularFormula	C17H11N2O8Cl
Smiles	[O-][N+](c(cc1)ccc1C(OC/C(/OC(c(cc1)ccc1[N+]([O-])=O)=O)=C/Cl)=O)=O
InChI	InChI=1S/C17H11ClN2O8/c18-9-15(28-17(22)12-3-7-14(8-4-12)20(25)26)10-27-16(21)11-1-5-13(6-2-11)19(23)24/h1-9H,10H2
InChIK	MWAHPPQBLQTKSF-UHFFFAOYSA-N
TotalMolweight	406.733
Molweight	406.733
MonoisotopicMass	406.020395
CLogP	2.2896
CLogS	-5.105
H Acceptors	10
TotalSurfaceArea	289.75
Relative PSA	0.36901
PolarSurfaceArea	144.24
Druglikeness	-6.1223
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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