2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetic acid

Formula:C24H17NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetic acid
MolecularFormula	C24H17NO4S
Smiles	OC(COc1ccc(/C=C(/C(c2ccccc2)=O)\c2nc(cccc3)c3s2)cc1)=O
InChI	InChI=1S/C24H17NO4S/c26-22(27)15-29-18-12-10-16(11-13-18)14-19(23(28)17-6-2-1-3-7-17)24-25-20-8-4-5-9-21(20)30-24/h1-14H,15H2,(H,26,27)
InChIK	FMQZZOKOWOBCEX-UHFFFAOYSA-N
TotalMolweight	415.468
Molweight	415.468
MonoisotopicMass	415.087829
CLogP	3.7078
CLogS	-4.854
H Acceptors	5
H Donors	1
TotalSurfaceArea	312.4
Relative PSA	0.25771
PolarSurfaceArea	104.73
Druglikeness	2.4822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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