3-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C9H7N7O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C9H7N7O2Cl2
Smiles	Nn1c(N/N=C\c(c(Cl)c2)cc([N+]([O-])=O)c2Cl)nnc1
InChI	InChI=1S/C9H7Cl2N7O2/c10-6-2-7(11)8(18(19)20)1-5(6)3-13-15-9-16-14-4-17(9)12/h1-4H,12H2,(H,15,16)
InChIK	BVAASXBABQMVSH-UHFFFAOYSA-N
TotalMolweight	316.108
Molweight	316.108
MonoisotopicMass	315.003827
CLogP	3.3897
CLogS	-6.686
H Acceptors	9
H Donors	2
TotalSurfaceArea	218.99
Relative PSA	0.44509
PolarSurfaceArea	126.94
Druglikeness	-3.186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 3-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

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