(E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C13H8N4OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C13H8N4OCl2
Smiles	Clc(cc1)cc(Cl)c1-c1ccc(/C=N/n2cnnc2)o1
InChI	InChI=1S/C13H8Cl2N4O/c14-9-1-3-11(12(15)5-9)13-4-2-10(20-13)6-18-19-7-16-17-8-19/h1-8H
InChIK	YKYCNBHTGAZOCI-UHFFFAOYSA-N
TotalMolweight	307.14
Molweight	307.14
MonoisotopicMass	306.007515
CLogP	3.3792
CLogS	-7.242
H Acceptors	5
TotalSurfaceArea	224.79
Relative PSA	0.24214
PolarSurfaceArea	56.21
Druglikeness	6.0663
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

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