2-[(Z)-[[2-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C18H14N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C18H14N4O6 |
| Smiles | OC(c1c(/C=N\NC(C(N/N=C\c(cccc2)c2C(O)=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C18H14N4O6/c23-15(21-19-9-11-5-1-3-7-13(11)17(25)26)16(24)22-20-10-12-6-2-4-8-14(12)18(27)28/h1-10H,(H,21,23)(H,22,24)(H,25,26)(H,27,28) |
| InChIK | ZHQPUTANDXHQJG-UHFFFAOYSA-N |
| TotalMolweight | 382.331 |
| Molweight | 382.331 |
| MonoisotopicMass | 382.091336 |
| CLogP | 1.5086 |
| CLogS | -4.144 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 289.16 |
| Relative PSA | 0.42987 |
| PolarSurfaceArea | 157.52 |
| Druglikeness | 3.0673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(Z)-[[2-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
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