(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(carboxymethoxy)phenyl]pent-4-enoic acid

Formula:C20H17NO5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(carboxymethoxy)phenyl]pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(carboxymethoxy)phenyl]pent-4-enoic acid
MolecularFormula	C20H17NO5S
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1OCC(O)=O)=O
InChI	InChI=1S/C20H17NO5S/c22-18(23)10-7-14(20-21-16-3-1-2-4-17(16)27-20)11-13-5-8-15(9-6-13)26-12-19(24)25/h1-6,8-9,11H,7,10,12H2,(H,22,23)(H,24,25)
InChIK	ROHWWSBJDVKFEZ-UHFFFAOYSA-N
TotalMolweight	383.423
Molweight	383.423
MonoisotopicMass	383.082744
CLogP	2.7867
CLogS	-3.553
H Acceptors	6
H Donors	2
TotalSurfaceArea	286.51
Relative PSA	0.32673
PolarSurfaceArea	124.96
Druglikeness	0.9063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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