(E)-2-(furan-2-carbonyl)-3-(furan-2-yl)prop-2-enenitrile

Formula:C12H7NO3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(furan-2-carbonyl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(furan-2-carbonyl)-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C12H7NO3
Smiles	N#C/C(/C(c1ccco1)=O)=C\c1ccco1
InChI	InChI=1S/C12H7NO3/c13-8-9(7-10-3-1-5-15-10)12(14)11-4-2-6-16-11/h1-7H
InChIK	JMLKLNIGDBIHNQ-UHFFFAOYSA-N
TotalMolweight	213.192
Molweight	213.192
MonoisotopicMass	213.042594
CLogP	1.5332
CLogS	-3.476
H Acceptors	4
TotalSurfaceArea	176.57
Relative PSA	0.31047
PolarSurfaceArea	67.14
Druglikeness	-3.7858
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
StereoCon

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