2-[(Z)-[(2-carbazol-9-ylacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C22H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-carbazol-9-ylacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(2-carbazol-9-ylacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H17N3O3 |
| Smiles | OC(c1c(/C=N\NC(Cn2c(cccc3)c3c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C22H17N3O3/c26-21(24-23-13-15-7-1-2-8-16(15)22(27)28)14-25-19-11-5-3-9-17(19)18-10-4-6-12-20(18)25/h1-13H,14H2,(H,24,26)(H,27,28) |
| InChIK | ONSPTGOPFSGZIO-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 3.6704 |
| CLogS | -4.89 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.25 |
| Relative PSA | 0.24367 |
| PolarSurfaceArea | 83.69 |
| Druglikeness | 5.7756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2-carbazol-9-ylacetyl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(2-carbazol-9-ylacetyl)hydrazinylidene]methyl]benzoic acid
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