3-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C9H8N6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C9H8N6Cl2
Smiles	Nn1c(N/N=C\c2cccc(Cl)c2Cl)nnc1
InChI	InChI=1S/C9H8Cl2N6/c10-7-3-1-2-6(8(7)11)4-13-15-9-16-14-5-17(9)12/h1-5H,12H2,(H,15,16)
InChIK	UPOQDORCXQJTDF-UHFFFAOYSA-N
TotalMolweight	271.111
Molweight	271.111
MonoisotopicMass	270.018748
CLogP	4.2148
CLogS	-6.226
H Acceptors	6
H Donors	2
TotalSurfaceArea	195.32
Relative PSA	0.34328
PolarSurfaceArea	81.12
Druglikeness	2.2175
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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