(E)-N-phenyl-4-(1,2,4-triazol-1-yl)but-3-enamide

Formula:C12H12N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-phenyl-4-(1,2,4-triazol-1-yl)but-3-enamide is a drug-like molecule.

MolName	(E)-N-phenyl-4-(1,2,4-triazol-1-yl)but-3-enamide
MolecularFormula	C12H12N4O
Smiles	O=C(C/C=C/n1ncnc1)Nc1ccccc1
InChI	InChI=1S/C12H12N4O/c17-12(15-11-5-2-1-3-6-11)7-4-8-16-10-13-9-14-16/h1-6,8-10H,7H2,(H,15,17)
InChIK	PGCXHBANFCYVRX-UHFFFAOYSA-N
TotalMolweight	228.254
Molweight	228.254
MonoisotopicMass	228.101111
CLogP	0.8874
CLogS	-2.607
H Acceptors	5
H Donors	1
TotalSurfaceArea	189.21
Relative PSA	0.28175
PolarSurfaceArea	59.81
Druglikeness	3.5734
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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