(E)-3-(furan-2-yl)-1-(3-phenyl-1,2,4-triazol-1-yl)prop-2-en-1-one

Formula:C15H11N3O2 Mutagenic:high Tumorigenic:none Reproductive Effective:low (E)-3-(furan-2-yl)-1-(3-phenyl-1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-(3-phenyl-1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C15H11N3O2
Smiles	O=C(/C=C/c1ccco1)n1nc(-c2ccccc2)nc1
InChI	InChI=1S/C15H11N3O2/c19-14(9-8-13-7-4-10-20-13)18-11-16-15(17-18)12-5-2-1-3-6-12/h1-11H
InChIK	KBOILJPFTQNQNU-UHFFFAOYSA-N
TotalMolweight	265.271
Molweight	265.271
MonoisotopicMass	265.085127
CLogP	2.2321
CLogS	-4.547
H Acceptors	5
TotalSurfaceArea	213.44
Relative PSA	0.26218
PolarSurfaceArea	60.92
Druglikeness	2
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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