(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide

Formula:C20H13N4O6ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
MolecularFormula	C20H13N4O6ClS
Smiles	NS(c(cc1)ccc1NC(/C(/C#N)=C/c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1)=O)(=O)=O
InChI	InChI=1S/C20H13ClN4O6S/c21-18-10-14(25(27)28)3-7-17(18)19-8-4-15(31-19)9-12(11-22)20(26)24-13-1-5-16(6-2-13)32(23,29)30/h1-10H,(H,24,26)(H2,23,29,30)
InChIK	GCEJMCJJZKZYPC-UHFFFAOYSA-N
TotalMolweight	472.864
Molweight	472.864
MonoisotopicMass	472.024433
CLogP	2.3756
CLogS	-6.325
H Acceptors	10
H Donors	2
TotalSurfaceArea	334.29
Relative PSA	0.37823
PolarSurfaceArea	180.39
Druglikeness	-4.5181
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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