(2E)-2-[(2-hydroxybenzoyl)hydrazinylidene]chromene-3-carboxamide
Formula:C17H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(2-hydroxybenzoyl)hydrazinylidene]chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(2-hydroxybenzoyl)hydrazinylidene]chromene-3-carboxamide |
| MolecularFormula | C17H13N3O4 |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N/NC(c(cccc1)c1O)=O)=O |
| InChI | InChI=1S/C17H13N3O4/c18-15(22)12-9-10-5-1-4-8-14(10)24-17(12)20-19-16(23)11-6-2-3-7-13(11)21/h1-9,21H,(H2,18,22)(H,19,23) |
| InChIK | RTAHMWLLXYEJHP-UHFFFAOYSA-N |
| TotalMolweight | 323.307 |
| Molweight | 323.307 |
| MonoisotopicMass | 323.090607 |
| CLogP | 1.5265 |
| CLogS | -3.53 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 239.03 |
| Relative PSA | 0.36573 |
| PolarSurfaceArea | 114.01 |
| Druglikeness | 4.725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(2-hydroxybenzoyl)hydrazinylidene]chromene-3-carboxamide | 2 - (2E)-2-[(2-hydroxybenzoyl)hydrazinylidene]chromene-3-carboxamide
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