N-[(E)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]ethenyl]aniline

Formula:C21H14N2OCl2S Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(E)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]ethenyl]aniline is not a drug-like molecule.

MolName	N-[(E)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]ethenyl]aniline
MolecularFormula	C21H14N2OCl2S
Smiles	Clc(cc1)cc(Cl)c1-c1ccc(-c2csc(/C=C/Nc3ccccc3)n2)o1
InChI	InChI=1S/C21H14Cl2N2OS/c22-14-6-7-16(17(23)12-14)19-8-9-20(26-19)18-13-27-21(25-18)10-11-24-15-4-2-1-3-5-15/h1-13,24H
InChIK	HWLLFQBDTTWPIO-UHFFFAOYSA-N
TotalMolweight	413.327
Molweight	413.327
MonoisotopicMass	412.020387
CLogP	5.8055
CLogS	-7.106
H Acceptors	3
H Donors	1
TotalSurfaceArea	305.73
Relative PSA	0.18611
PolarSurfaceArea	66.3
Druglikeness	3.7367
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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