(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)pent-4-enoic acid

Formula:C18H15NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)pent-4-enoic acid
MolecularFormula	C18H15NO3S
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C/c1cc(O)ccc1)=O
InChI	InChI=1S/C18H15NO3S/c20-14-5-3-4-12(11-14)10-13(8-9-17(21)22)18-19-15-6-1-2-7-16(15)23-18/h1-7,10-11,20H,8-9H2,(H,21,22)
InChIK	QVUIHLRLVUWZMV-UHFFFAOYSA-N
TotalMolweight	325.387
Molweight	325.387
MonoisotopicMass	325.077264
CLogP	3.381
CLogS	-3.464
H Acceptors	4
H Donors	2
TotalSurfaceArea	245
Relative PSA	0.28804
PolarSurfaceArea	98.66
Druglikeness	0.49966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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