(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile

Formula:C19H10N2O5BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
MolecularFormula	C19H10N2O5BrClS
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1
InChI	InChI=1S/C19H10BrClN2O5S/c20-18-9-13(23(24)25)3-7-17(18)19-8-4-14(28-19)10-16(11-22)29(26,27)15-5-1-12(21)2-6-15/h1-10H
InChIK	KWKHYCLZUGNKJA-UHFFFAOYSA-N
TotalMolweight	493.72
Molweight	493.72
MonoisotopicMass	491.918231
CLogP	3.758
CLogS	-7.733
H Acceptors	7
TotalSurfaceArea	315.19
Relative PSA	0.27498
PolarSurfaceArea	125.27
Druglikeness	-10.816
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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