[4-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
Formula:C28H21N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C28H21N7O3 |
| Smiles | O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C\c(cc1)ccc1OC(c1cnccc1)=O |
| InChI | InChI=1S/C28H21N7O3/c36-27(32-30-17-20-10-14-25(15-11-20)38-28(37)24-7-4-16-29-18-24)23-12-8-21(9-13-23)19-35-33-26(31-34-35)22-5-2-1-3-6-22/h1-18H,19H2,(H,32,36) |
| InChIK | YDBIMIDXSSIOGS-UHFFFAOYSA-N |
| TotalMolweight | 503.521 |
| Molweight | 503.521 |
| MonoisotopicMass | 503.170588 |
| CLogP | 4.8054 |
| CLogS | -5.787 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 392.02 |
| Relative PSA | 0.28009 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 0.51837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - [4-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
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