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

Formula:C11H9N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenyl-1-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C11H9N3O
Smiles	O=C(/C=C/c1ccccc1)n1ncnc1
InChI	InChI=1S/C11H9N3O/c15-11(14-9-12-8-13-14)7-6-10-4-2-1-3-5-10/h1-9H
InChIK	SJCPTORSLMEGPE-UHFFFAOYSA-N
TotalMolweight	199.212
Molweight	199.212
MonoisotopicMass	199.074562
CLogP	1.4004
CLogS	-2.72
H Acceptors	4
TotalSurfaceArea	163.99
Relative PSA	0.2552
PolarSurfaceArea	47.78
Druglikeness	2.0252
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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