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

Formula:C14H9N7Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-3-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
MolecularFormula	C14H9N7Cl2
Smiles	N#C/C(/c1n[nH]c(Cn2ncnc2)n1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C14H9Cl2N7/c15-11-2-1-9(12(16)4-11)3-10(5-17)14-20-13(21-22-14)6-23-8-18-7-19-23/h1-4,7-8H,6H2,(H,20,21,22)
InChIK	JDQUWCDWHPQMHZ-UHFFFAOYSA-N
TotalMolweight	346.18
Molweight	346.18
MonoisotopicMass	345.029647
CLogP	1.3896
CLogS	-2.553
H Acceptors	7
H Donors	1
TotalSurfaceArea	257.61
Relative PSA	0.30395
PolarSurfaceArea	96.07
Druglikeness	-0.2175
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	6
StereoCon

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

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