4-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Formula:C19H13N5O3S2 Mutagenic:none Tumorigenic:low Reproductive Effective:low 4-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is a drug-like molecule.

MolName	4-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MolecularFormula	C19H13N5O3S2
Smiles	N#C/C(/c1nc(cccc2)c2o1)=C\Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C19H13N5O3S2/c20-11-13(18-23-16-3-1-2-4-17(16)27-18)12-22-14-5-7-15(8-6-14)29(25,26)24-19-21-9-10-28-19/h1-10,12,22H,(H,21,24)
InChIK	OQRACNBGQRUWDG-UHFFFAOYSA-N
TotalMolweight	423.476
Molweight	423.476
MonoisotopicMass	423.04598
CLogP	2.329
CLogS	-4.77
H Acceptors	8
H Donors	2
TotalSurfaceArea	308.45
Relative PSA	0.39381
PolarSurfaceArea	157.53
Druglikeness	0.72307
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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