(E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate

Formula:C14H9N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate is a drug-like molecule.

MolName	(E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate
MolecularFormula	C14H9N2O5S
Smiles	[O-]C(/C(/NC(c1ccccc1)=O)=C\c1ccc([N+]([O-])=O)s1)=O
InChI	InChI=1S/C14H10N2O5S/c17-13(9-4-2-1-3-5-9)15-11(14(18)19)8-10-6-7-12(22-10)16(20)21/h1-8H,(H,15,17)(H,18,19)/p-1
InChIK	RCAUPMFNUKOWRC-UHFFFAOYSA-M
TotalMolweight	317.3
Molweight	317.3
MonoisotopicMass	317.023218
CLogP	-0.18
CLogS	-3.994
H Acceptors	7
H Donors	1
TotalSurfaceArea	231.83
Relative PSA	0.44257
PolarSurfaceArea	143.29
Druglikeness	-1.2402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate | 2 - (E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate

Request More Details | (E)-2-benzamido-3-(5-nitrothiophen-2-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments