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

Formula:C17H11N3OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1,3-bis(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1,3-bis(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C17H11N3OCl2
Smiles	O=C(/C=C(/c(cc1)ccc1Cl)\n1ncnc1)c(cc1)ccc1Cl
InChI	InChI=1S/C17H11Cl2N3O/c18-14-5-1-12(2-6-14)16(22-11-20-10-21-22)9-17(23)13-3-7-15(19)8-4-13/h1-11H
InChIK	YXIJMZYSBKFBRG-UHFFFAOYSA-N
TotalMolweight	344.2
Molweight	344.2
MonoisotopicMass	343.027916
CLogP	4.0041
CLogS	-6.373
H Acceptors	4
TotalSurfaceArea	252.8
Relative PSA	0.16555
PolarSurfaceArea	47.78
Druglikeness	3.9825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
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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