2-[[(E)-3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid

Formula:C23H15N2O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H15N2O6ClS
Smiles	N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c(cc1)ccc1OS(c(cc1)ccc1Cl)(=O)=O
InChI	InChI=1S/C23H15ClN2O6S/c24-17-7-11-19(12-8-17)33(30,31)32-18-9-5-15(6-10-18)13-16(14-25)22(27)26-21-4-2-1-3-20(21)23(28)29/h1-13H,(H,26,27)(H,28,29)
InChIK	HYYPBSCTBNPDLL-UHFFFAOYSA-N
TotalMolweight	482.899
Molweight	482.899
MonoisotopicMass	482.033935
CLogP	3.9583
CLogS	-5.293
H Acceptors	8
H Donors	2
TotalSurfaceArea	346.51
Relative PSA	0.29661
PolarSurfaceArea	141.94
Druglikeness	-0.40703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid

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