N-[(E)-[1-(4-chlorophenyl)-7-(3-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Formula:C30H25N4O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[1-(4-chlorophenyl)-7-(3-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(E)-[1-(4-chlorophenyl)-7-(3-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C30H25N4O6Cl |
| Smiles | [O-][N+](c1cccc(NC(CCC/C(/CC(c(cc2)ccc2Cl)=O)=N\NC(c2cc3ccccc3cc2O)=O)=O)c1)=O |
| InChI | InChI=1S/C30H25ClN4O6/c31-22-13-11-19(12-14-22)27(36)18-24(8-4-10-29(38)32-23-7-3-9-25(17-23)35(40)41)33-34-30(39)26-15-20-5-1-2-6-21(20)16-28(26)37/h1-3,5-7,9,11-17,37H,4,8,10,18H2,(H,32,38)(H,34,39) |
| InChIK | VPNAIQGDXKCXIY-UHFFFAOYSA-N |
| TotalMolweight | 573.004 |
| Molweight | 573.004 |
| MonoisotopicMass | 572.146263 |
| CLogP | 5.2777 |
| CLogS | -8.563 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 427 |
| Relative PSA | 0.27417 |
| PolarSurfaceArea | 153.68 |
| Druglikeness | -5.1433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[1-(4-chlorophenyl)-7-(3-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(E)-[1-(4-chlorophenyl)-7-(3-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
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