N-[(Z)-2H-chromen-3-ylmethylideneamino]-4-nitrobenzamide
Formula:C17H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2H-chromen-3-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-2H-chromen-3-ylmethylideneamino]-4-nitrobenzamide |
| MolecularFormula | C17H13N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\C1=Cc(cccc2)c2OC1)=O)=O |
| InChI | InChI=1S/C17H13N3O4/c21-17(13-5-7-15(8-6-13)20(22)23)19-18-10-12-9-14-3-1-2-4-16(14)24-11-12/h1-10H,11H2,(H,19,21) |
| InChIK | RDZQCAZKTLQSAM-UHFFFAOYSA-N |
| TotalMolweight | 323.307 |
| Molweight | 323.307 |
| MonoisotopicMass | 323.090607 |
| CLogP | 2.0519 |
| CLogS | -4.461 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 245.63 |
| Relative PSA | 0.31116 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.64444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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