(E)-1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one

Formula:C16H12N5OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C16H12N5OCl
Smiles	Nc1nc(-c2cnccc2)nn1C(/C=C/c(cc1)ccc1Cl)=O
InChI	InChI=1S/C16H12ClN5O/c17-13-6-3-11(4-7-13)5-8-14(23)22-16(18)20-15(21-22)12-2-1-9-19-10-12/h1-10H,(H2,18,20,21)
InChIK	STZRIDRZTXSCGE-UHFFFAOYSA-N
TotalMolweight	325.758
Molweight	325.758
MonoisotopicMass	325.073037
CLogP	2.3407
CLogS	-5.153
H Acceptors	6
H Donors	1
TotalSurfaceArea	246.45
Relative PSA	0.27628
PolarSurfaceArea	86.69
Druglikeness	1.9052
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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