(E)-3-(1,3-benzothiazol-2-yl)-4-[3-[(2-chlorobenzoyl)amino]phenyl]but-3-enoic acid

Formula:C24H17N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-yl)-4-[3-[(2-chlorobenzoyl)amino]phenyl]but-3-enoic acid is not a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-yl)-4-[3-[(2-chlorobenzoyl)amino]phenyl]but-3-enoic acid
MolecularFormula	C24H17N2O3ClS
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1cccc(NC(c(cccc2)c2Cl)=O)c1)=O
InChI	InChI=1S/C24H17ClN2O3S/c25-19-9-2-1-8-18(19)23(30)26-17-7-5-6-15(13-17)12-16(14-22(28)29)24-27-20-10-3-4-11-21(20)31-24/h1-13H,14H2,(H,26,30)(H,28,29)
InChIK	ILKXAFYCYALFLN-UHFFFAOYSA-N
TotalMolweight	448.929
Molweight	448.929
MonoisotopicMass	448.06484
CLogP	5.0258
CLogS	-5.738
H Acceptors	5
H Donors	2
TotalSurfaceArea	329.28
Relative PSA	0.24894
PolarSurfaceArea	107.53
Druglikeness	3.0733
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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