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

Formula:C23H20N2O6S Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
MolecularFormula	C23H20N2O6S
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C/C(c(cc3)ccc3S(N3CCCC3)(=O)=O)=O)o2)c1)=O
InChI	InChI=1S/C23H20N2O6S/c26-22(17-6-10-21(11-7-17)32(29,30)24-14-1-2-15-24)12-8-20-9-13-23(31-20)18-4-3-5-19(16-18)25(27)28/h3-13,16H,1-2,14-15H2
InChIK	VRTNUOQJHOIQHP-UHFFFAOYSA-N
TotalMolweight	452.486
Molweight	452.486
MonoisotopicMass	452.104208
CLogP	3.1859
CLogS	-5.585
H Acceptors	8
TotalSurfaceArea	330.81
Relative PSA	0.27115
PolarSurfaceArea	121.79
Druglikeness	-0.04978
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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