N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide

Formula:C23H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide is a drug-like molecule.

MolName	N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide
MolecularFormula	C23H16N2O3S
Smiles	O=C(c1ccccc1)N/C(/c1nc(cccc2)c2s1)=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C23H16N2O3S/c26-22(16-6-2-1-3-7-16)24-18(23-25-17-8-4-5-9-21(17)29-23)12-15-10-11-19-20(13-15)28-14-27-19/h1-13H,14H2,(H,24,26)
InChIK	RKVGTGJGUHQPBS-UHFFFAOYSA-N
TotalMolweight	400.457
Molweight	400.457
MonoisotopicMass	400.088163
CLogP	4.7343
CLogS	-5.704
H Acceptors	5
H Donors	1
TotalSurfaceArea	296.26
Relative PSA	0.25596
PolarSurfaceArea	88.69
Druglikeness	3.1652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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