[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate

Formula:C25H15NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
MolecularFormula	C25H15NO4S
Smiles	O=C(/C=C/c1ccccc1)Oc(cc1)cc(O2)c1C=C(c1nc(cccc3)c3s1)C2=O
InChI	InChI=1S/C25H15NO4S/c27-23(13-10-16-6-2-1-3-7-16)29-18-12-11-17-14-19(25(28)30-21(17)15-18)24-26-20-8-4-5-9-22(20)31-24/h1-15H
InChIK	AIWDHALZIAUMJG-UHFFFAOYSA-N
TotalMolweight	425.463
Molweight	425.463
MonoisotopicMass	425.072179
CLogP	4.5195
CLogS	-5.431
H Acceptors	5
TotalSurfaceArea	315.29
Relative PSA	0.24552
PolarSurfaceArea	93.73
Druglikeness	-0.24429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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