2-[(Z)-[[2-(5-aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

Formula:C10H9N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-(5-aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is not a drug-like molecule.

MolName	2-[(Z)-[[2-(5-aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C10H9N8O4
Smiles	Nc1nnnn1CC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1[O-])=O
InChI	InChI=1S/C10H10N8O4/c11-10-14-15-16-17(10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H,13,20)(H2,11,14,16)/p-1
InChIK	UFLSWVAUWKJNPK-UHFFFAOYSA-M
TotalMolweight	305.233
Molweight	305.233
MonoisotopicMass	305.074677
CLogP	-2.6648
CLogS	-3.03
H Acceptors	12
H Donors	2
TotalSurfaceArea	225.95
Relative PSA	0.60084
PolarSurfaceArea	179.96
Druglikeness	-0.9885
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[2-(5-aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[2-(5-aminotetrazol-1-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

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