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

Formula:C17H12N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chlorophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C17H12N3OCl
Smiles	O=C(/C=C(\c1ccccc1)/n1ncnc1)c(cc1)ccc1Cl
InChI	InChI=1S/C17H12ClN3O/c18-15-8-6-14(7-9-15)17(22)10-16(21-12-19-11-20-21)13-4-2-1-3-5-13/h1-12H
InChIK	MXIKIYSMZSQCQH-UHFFFAOYSA-N
TotalMolweight	309.755
Molweight	309.755
MonoisotopicMass	309.066889
CLogP	3.3981
CLogS	-5.637
H Acceptors	4
TotalSurfaceArea	237.38
Relative PSA	0.1763
PolarSurfaceArea	47.78
Druglikeness	3.9825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
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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