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

Formula:C17H11N3O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-1-(2,4-dichlorophenyl)-3-(2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(2,4-dichlorophenyl)-3-(2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C17H11N3O2Cl2
Smiles	Oc1c(/C=C(/C(c(ccc(Cl)c2)c2Cl)=O)\n2ncnc2)cccc1
InChI	InChI=1S/C17H11Cl2N3O2/c18-12-5-6-13(14(19)8-12)17(24)15(22-10-20-9-21-22)7-11-3-1-2-4-16(11)23/h1-10,23H
InChIK	AIWWEMYUASRHHD-UHFFFAOYSA-N
TotalMolweight	360.199
Molweight	360.199
MonoisotopicMass	359.022831
CLogP	3.771
CLogS	-5.707
H Acceptors	5
H Donors	1
TotalSurfaceArea	259.15
Relative PSA	0.21204
PolarSurfaceArea	68.01
Druglikeness	3.8887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	3
StereoCon

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