2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid

Formula:C18H19N9O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.

MolName	2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C18H19N9O5
Smiles	Nc1nonc1-n1nnc(CN2CCOCC2)c1C(N/N=C\c(cccc1)c1C(O)=O)=O
InChI	InChI=1S/C18H19N9O5/c19-15-16(24-32-23-15)27-14(13(21-25-27)10-26-5-7-31-8-6-26)17(28)22-20-9-11-3-1-2-4-12(11)18(29)30/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)(H,29,30)
InChIK	KDPZSFFLPZGSJZ-UHFFFAOYSA-N
TotalMolweight	441.407
Molweight	441.407
MonoisotopicMass	441.150916
CLogP	-0.1001
CLogS	-1.046
H Acceptors	14
H Donors	3
TotalSurfaceArea	328.9
Relative PSA	0.47379
PolarSurfaceArea	186.88
Druglikeness	2.3098
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid

Request More Details | 2-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments