4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]benzoic acid

Formula:C18H13NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]benzoic acid
MolecularFormula	C18H13NO4S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1C(O)=O)=O
InChI	InChI=1S/C18H13NO4S/c20-16(21)10-13(9-11-5-7-12(8-6-11)18(22)23)17-19-14-3-1-2-4-15(14)24-17/h1-9H,10H2,(H,20,21)(H,22,23)
InChIK	GFAHKYWZFLISEC-UHFFFAOYSA-N
TotalMolweight	339.37
Molweight	339.37
MonoisotopicMass	339.056529
CLogP	2.7574
CLogS	-3.503
H Acceptors	5
H Donors	2
TotalSurfaceArea	248.99
Relative PSA	0.3358
PolarSurfaceArea	115.73
Druglikeness	1.799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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