5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate

Formula:C15H9NO6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate is a drug-like molecule.

MolName	5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
MolecularFormula	C15H9NO6
Smiles	[O-]C(c1cc(C([O-])=O)cc(NC(/C=C/c2ccco2)=O)c1)=O
InChI	InChI=1S/C15H11NO6/c17-13(4-3-12-2-1-5-22-12)16-11-7-9(14(18)19)6-10(8-11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)/p-2
InChIK	HVEHCGNRTORXBR-UHFFFAOYSA-L
TotalMolweight	299.237
Molweight	299.237
MonoisotopicMass	299.042989
CLogP	-2.8568
CLogS	-3.206
H Acceptors	7
H Donors	1
TotalSurfaceArea	228.98
Relative PSA	0.40724
PolarSurfaceArea	122.5
Druglikeness	-0.051794
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	5
Amides	1
AcidicOxygens	2
StereoCon

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