2-[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H20N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H20N4O7 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N/N=C\c(cccc2)c2OCC(O)=O)=O)\NC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C25H20N4O7/c30-23(31)16-36-22-9-5-4-8-19(22)15-26-28-25(33)21(27-24(32)18-6-2-1-3-7-18)14-17-10-12-20(13-11-17)29(34)35/h1-15H,16H2,(H,27,32)(H,28,33)(H,30,31) |
| InChIK | JSBKRUKTLYVVRZ-UHFFFAOYSA-N |
| TotalMolweight | 488.455 |
| Molweight | 488.455 |
| MonoisotopicMass | 488.133201 |
| CLogP | 2.9567 |
| CLogS | -5.719 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 372.2 |
| Relative PSA | 0.3414 |
| PolarSurfaceArea | 162.91 |
| Druglikeness | 1.3106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid
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