2-amino-N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide
Formula:C17H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-amino-N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide |
| MolecularFormula | C17H14N4O3 |
| Smiles | N/C(/C1=Cc(cccc2)c2OC1=O)=N/NC(c(cccc1)c1N)=O |
| InChI | InChI=1S/C17H14N4O3/c18-13-7-3-2-6-11(13)16(22)21-20-15(19)12-9-10-5-1-4-8-14(10)24-17(12)23/h1-9H,18H2,(H2,19,20)(H,21,22) |
| InChIK | ZSXUBNKJCVXGNM-UHFFFAOYSA-N |
| TotalMolweight | 322.323 |
| Molweight | 322.323 |
| MonoisotopicMass | 322.106591 |
| CLogP | 1.1949 |
| CLogS | -3.902 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 241.2 |
| Relative PSA | 0.37143 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | 3.8072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.58333 |
| 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 | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide | 2 - 2-amino-N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]benzamide
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