(E)-3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile

Formula:C14H11N7 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
MolecularFormula	C14H11N7
Smiles	N#C/C(/c1n[nH]c(Cn2ncnc2)n1)=C\c1ccccc1
InChI	InChI=1S/C14H11N7/c15-7-12(6-11-4-2-1-3-5-11)14-18-13(19-20-14)8-21-10-16-9-17-21/h1-6,9-10H,8H2,(H,18,19,20)
InChIK	BLJJDDGVJXWCGE-UHFFFAOYSA-N
TotalMolweight	277.29
Molweight	277.29
MonoisotopicMass	277.107593
CLogP	0.1776
CLogS	-1.081
H Acceptors	7
H Donors	1
TotalSurfaceArea	226.77
Relative PSA	0.34528
PolarSurfaceArea	96.07
Druglikeness	-0.24426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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