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

Formula:C15H9N3O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:low (Z)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C15H9N3O2Cl2
Smiles	O=C(/C(/n1ncnc1)=C/c1ccco1)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C15H9Cl2N3O2/c16-10-3-4-12(13(17)6-10)15(21)14(20-9-18-8-19-20)7-11-2-1-5-22-11/h1-9H
InChIK	ZWJYUHSFQIMYBE-UHFFFAOYSA-N
TotalMolweight	334.161
Molweight	334.161
MonoisotopicMass	333.007181
CLogP	3.3054
CLogS	-5.685
H Acceptors	5
TotalSurfaceArea	242.49
Relative PSA	0.23077
PolarSurfaceArea	60.92
Druglikeness	3.4769
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Aromatic Nitrogens	3
StereoCon

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