(Z)-2-cyano-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enoic acid

Formula:C16H8N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-cyano-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(Z)-2-cyano-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enoic acid
MolecularFormula	C16H8N2O5
Smiles	N#C/C(/C(O)=O)=C/c1ccc(-c(cc2)cc(C(N3)=O)c2C3=O)o1
InChI	InChI=1S/C16H8N2O5/c17-7-9(16(21)22)5-10-2-4-13(23-10)8-1-3-11-12(6-8)15(20)18-14(11)19/h1-6H,(H,21,22)(H,18,19,20)
InChIK	DSCBFSRNWMVRMF-UHFFFAOYSA-N
TotalMolweight	308.249
Molweight	308.249
MonoisotopicMass	308.043323
CLogP	1.3459
CLogS	-4.102
H Acceptors	7
H Donors	2
TotalSurfaceArea	226.69
Relative PSA	0.40297
PolarSurfaceArea	120.4
Druglikeness	-0.61808
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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