(E)-2-(3-nitrobenzoyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H11N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(3-nitrobenzoyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(3-nitrobenzoyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N3O6
Smiles	N#C/C(/C(c1cccc([N+]([O-])=O)c1)=O)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1
InChI	InChI=1S/C20H11N3O6/c21-12-15(20(24)14-2-1-3-17(10-14)23(27)28)11-18-8-9-19(29-18)13-4-6-16(7-5-13)22(25)26/h1-11H
InChIK	CELCYPNNXHKGEH-UHFFFAOYSA-N
TotalMolweight	389.322
Molweight	389.322
MonoisotopicMass	389.064787
CLogP	2.2515
CLogS	-6.492
H Acceptors	9
TotalSurfaceArea	293.98
Relative PSA	0.34543
PolarSurfaceArea	145.64
Druglikeness	-7.6223
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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