(E)-1-(4-chloro-3-nitrophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one

Formula:C23H19N2O7ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C23H19N2O7ClS
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c2ccc(-c(cc3)ccc3S(N3CCOCC3)(=O)=O)o2)=O)c1Cl)=O
InChI	InChI=1S/C23H19ClN2O7S/c24-20-8-3-17(15-21(20)26(28)29)22(27)9-4-18-5-10-23(33-18)16-1-6-19(7-2-16)34(30,31)25-11-13-32-14-12-25/h1-10,15H,11-14H2
InChIK	WPGUKIHPPSLSQA-UHFFFAOYSA-N
TotalMolweight	502.93
Molweight	502.93
MonoisotopicMass	502.06015
CLogP	2.9699
CLogS	-5.702
H Acceptors	9
TotalSurfaceArea	356.23
Relative PSA	0.27988
PolarSurfaceArea	131.02
Druglikeness	-3.1475
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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