(E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid

Formula:C24H19NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid is a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
MolecularFormula	C24H19NO3S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1cc(OCc2ccccc2)ccc1)=O
InChI	InChI=1S/C24H19NO3S/c26-23(27)15-19(24-25-21-11-4-5-12-22(21)29-24)13-18-9-6-10-20(14-18)28-16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,26,27)
InChIK	PAWZZZJJPFVBFE-UHFFFAOYSA-N
TotalMolweight	401.485
Molweight	401.485
MonoisotopicMass	401.108564
CLogP	4.6204
CLogS	-4.831
H Acceptors	4
H Donors	1
TotalSurfaceArea	308.41
Relative PSA	0.21877
PolarSurfaceArea	87.66
Druglikeness	1.6967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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