(Z)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-one

Formula:C17H13N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C17H13N3O
Smiles	O=C(/C=C(/c1ccccc1)\n1ncnc1)c1ccccc1
InChI	InChI=1S/C17H13N3O/c21-17(15-9-5-2-6-10-15)11-16(20-13-18-12-19-20)14-7-3-1-4-8-14/h1-13H
InChIK	OVIZZCYKCQXXIQ-UHFFFAOYSA-N
TotalMolweight	275.31
Molweight	275.31
MonoisotopicMass	275.105862
CLogP	2.7921
CLogS	-4.901
H Acceptors	4
TotalSurfaceArea	221.96
Relative PSA	0.18855
PolarSurfaceArea	47.78
Druglikeness	3.9541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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