[2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Formula:C18H12N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
MolecularFormula	C18H12N3O5ClS
Smiles	[O-][N+](c(ccc(Cl)c1)c1NC(COC(/C=C/c1nc(cccc2)c2s1)=O)=O)=O
InChI	InChI=1S/C18H12ClN3O5S/c19-11-5-6-14(22(25)26)13(9-11)20-16(23)10-27-18(24)8-7-17-21-12-3-1-2-4-15(12)28-17/h1-9H,10H2,(H,20,23)
InChIK	LGROTYWIMKVYAE-UHFFFAOYSA-N
TotalMolweight	417.828
Molweight	417.828
MonoisotopicMass	417.018619
CLogP	2.3858
CLogS	-4.861
H Acceptors	8
H Donors	1
TotalSurfaceArea	298.63
Relative PSA	0.36597
PolarSurfaceArea	142.35
Druglikeness	-3.6261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate | 2 - [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Request More Details | [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments