2-[2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H15N3O4 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cccc1)c1OCC(O)=O)=O |
| InChI | InChI=1S/C16H15N3O4/c17-13-7-5-11(6-8-13)16(22)19-18-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9H,10,17H2,(H,19,22)(H,20,21) |
| InChIK | GVBHBYNGVZUPRB-UHFFFAOYSA-N |
| TotalMolweight | 313.312 |
| Molweight | 313.312 |
| MonoisotopicMass | 313.106257 |
| CLogP | 1.5843 |
| CLogS | -3.59 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 243.37 |
| Relative PSA | 0.35921 |
| PolarSurfaceArea | 114.01 |
| Druglikeness | 4.179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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