(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one

Formula:C20H12N2O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C20H12N2O4S
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c1ccc(-c2nc(cccc3)c3s2)o1)=O)=O
InChI	InChI=1S/C20H12N2O4S/c23-17(13-5-7-14(8-6-13)22(24)25)11-9-15-10-12-18(26-15)20-21-16-3-1-2-4-19(16)27-20/h1-12H
InChIK	VGIXTKGPIAIARG-UHFFFAOYSA-N
TotalMolweight	376.391
Molweight	376.391
MonoisotopicMass	376.051778
CLogP	3.4941
CLogS	-5.235
H Acceptors	6
TotalSurfaceArea	279.69
Relative PSA	0.31785
PolarSurfaceArea	117.16
Druglikeness	-1.693
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one | 2 - (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one

Request More Details | (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments