(E)-4-(furan-2-ylmethylamino)-4-oxobut-2-enoate

Formula:C9H8NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(furan-2-ylmethylamino)-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-(furan-2-ylmethylamino)-4-oxobut-2-enoate
MolecularFormula	C9H8NO4
Smiles	[O-]C(/C=C/C(NCc1ccco1)=O)=O
InChI	InChI=1S/C9H9NO4/c11-8(3-4-9(12)13)10-6-7-2-1-5-14-7/h1-5H,6H2,(H,10,11)(H,12,13)/p-1
InChIK	SKBMOBUYXGBBMZ-UHFFFAOYSA-M
TotalMolweight	194.166
Molweight	194.166
MonoisotopicMass	194.045334
CLogP	-2.4343
CLogS	-1.243
H Acceptors	5
H Donors	1
TotalSurfaceArea	157.7
Relative PSA	0.41807
PolarSurfaceArea	82.37
Druglikeness	0.58271
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule: