(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one

Formula:C24H13NO3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C24H13NO3Cl2S
Smiles	O=C(/C=C/c1ccc(-c2nc(cccc3)c3s2)o1)c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C24H13Cl2NO3S/c25-14-5-8-17(26)16(13-14)20-11-12-21(30-20)19(28)9-6-15-7-10-22(29-15)24-27-18-3-1-2-4-23(18)31-24/h1-13H
InChIK	ZDWVDEIGUNKTMB-UHFFFAOYSA-N
TotalMolweight	466.343
Molweight	466.343
MonoisotopicMass	464.999318
CLogP	6.5666
CLogS	-7.707
H Acceptors	4
TotalSurfaceArea	336.31
Relative PSA	0.21584
PolarSurfaceArea	84.48
Druglikeness	3.6614
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one

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