(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

Formula:C13H11N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
MolecularFormula	C13H11N3O2
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c1ccc[nH]1
InChI	InChI=1S/C13H11N3O2/c14-8-10(7-11-3-1-5-15-11)13(17)16-9-12-4-2-6-18-12/h1-7,15H,9H2,(H,16,17)
InChIK	KVNDUYPNJQVMIW-UHFFFAOYSA-N
TotalMolweight	241.249
Molweight	241.249
MonoisotopicMass	241.085127
CLogP	0.6629
CLogS	-2.316
H Acceptors	5
H Donors	2
TotalSurfaceArea	201.67
Relative PSA	0.32806
PolarSurfaceArea	81.82
Druglikeness	-1.3308
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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