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

Formula:C9H9N6I Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(3-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C9H9N6I
Smiles	Nn1c(N/N=C\c2cccc(I)c2)nnc1
InChI	InChI=1S/C9H9IN6/c10-8-3-1-2-7(4-8)5-12-14-9-15-13-6-16(9)11/h1-6H,11H2,(H,14,15)
InChIK	HNOYYOOLZZTGEV-UHFFFAOYSA-N
TotalMolweight	328.112
Molweight	328.112
MonoisotopicMass	327.993342
CLogP	3.4399
CLogS	-5.77
H Acceptors	6
H Donors	2
TotalSurfaceArea	190.76
Relative PSA	0.35149
PolarSurfaceArea	81.12
Druglikeness	2.6909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
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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