(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile

Formula:C22H12N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile
MolecularFormula	C22H12N3O2ClS
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C22H12ClN3O2S/c23-21-15(7-13-3-1-2-4-17(13)25-21)8-16(10-24)22-26-18(11-29-22)14-5-6-19-20(9-14)28-12-27-19/h1-9,11H,12H2
InChIK	SDGLAJDNFDPGFQ-UHFFFAOYSA-N
TotalMolweight	417.875
Molweight	417.875
MonoisotopicMass	417.033874
CLogP	5.0437
CLogS	-6.353
H Acceptors	5
TotalSurfaceArea	302.94
Relative PSA	0.25041
PolarSurfaceArea	96.27
Druglikeness	-1.7092
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon

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