(E)-3-(3,4-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

Formula:C11H8N4OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
MolecularFormula	C11H8N4OCl2
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nn1cnnc1
InChI	InChI=1S/C11H8Cl2N4O/c12-9-3-1-8(5-10(9)13)2-4-11(18)16-17-6-14-15-7-17/h1-7H,(H,16,18)
InChIK	QZKLHZPHTGQLHU-UHFFFAOYSA-N
TotalMolweight	283.118
Molweight	283.118
MonoisotopicMass	282.007515
CLogP	2.2128
CLogS	-5.997
H Acceptors	5
H Donors	1
TotalSurfaceArea	206.29
Relative PSA	0.25842
PolarSurfaceArea	59.81
Druglikeness	2.3725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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