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

Formula:C18H10N4OCl4 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C18H10N4OCl4
Smiles	N#C/C(/c1n[nH]c(COc(ccc(Cl)c2)c2Cl)n1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H10Cl4N4O/c19-12-2-1-10(14(21)6-12)5-11(8-23)18-24-17(25-26-18)9-27-16-4-3-13(20)7-15(16)22/h1-7H,9H2,(H,24,25,26)
InChIK	DMKYIADUASBQCF-UHFFFAOYSA-N
TotalMolweight	440.116
Molweight	440.116
MonoisotopicMass	437.960869
CLogP	4.6536
CLogS	-5.432
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.73
Relative PSA	0.19084
PolarSurfaceArea	74.59
Druglikeness	-2.7958
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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

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