2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole

Formula:C19H11NOCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole is not a drug-like molecule.

MolName	2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole
MolecularFormula	C19H11NOCl2S
Smiles	Clc(cc1)cc(-c2ccc(/C=C/c3nc(cccc4)c4s3)o2)c1Cl
InChI	InChI=1S/C19H11Cl2NOS/c20-12-5-8-15(21)14(11-12)17-9-6-13(23-17)7-10-19-22-16-3-1-2-4-18(16)24-19/h1-11H
InChIK	VQJKHJRFSUZEFL-UHFFFAOYSA-N
TotalMolweight	372.274
Molweight	372.274
MonoisotopicMass	370.993838
CLogP	6.0247
CLogS	-6.948
H Acceptors	2
TotalSurfaceArea	269.11
Relative PSA	0.16885
PolarSurfaceArea	54.27
Druglikeness	2.3648
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	1
StereoCon

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