2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

Formula:C11H9N6O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C11H9N6O4S
Smiles	Nc1nnc(CC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2[O-])=O)s1
InChI	InChI=1S/C11H10N6O4S/c12-11-16-15-10(22-11)4-9(19)14-13-5-6-3-7(17(20)21)1-2-8(6)18/h1-3,5,18H,4H2,(H2,12,16)(H,14,19)/p-1
InChIK	OCRDEAMLLVDZKT-UHFFFAOYSA-M
TotalMolweight	321.296
Molweight	321.296
MonoisotopicMass	321.040599
CLogP	-1.4799
CLogS	-3.133
H Acceptors	10
H Donors	2
TotalSurfaceArea	233.93
Relative PSA	0.59112
PolarSurfaceArea	190.38
Druglikeness	0.67413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

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