[(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] naphthalene-1-carboxylate
Formula:C23H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] naphthalene-1-carboxylate |
| MolecularFormula | C23H15N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/c1ccncc1)=N\OC(c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C23H15N3O4/c27-23(21-7-3-5-16-4-1-2-6-20(16)21)30-25-22(18-12-14-24-15-13-18)17-8-10-19(11-9-17)26(28)29/h1-15H |
| InChIK | UPISAIKQVLELBB-UHFFFAOYSA-N |
| TotalMolweight | 397.389 |
| Molweight | 397.389 |
| MonoisotopicMass | 397.106257 |
| CLogP | 4.3867 |
| CLogS | -6.818 |
| H Acceptors | 7 |
| TotalSurfaceArea | 300.53 |
| Relative PSA | 0.25269 |
| PolarSurfaceArea | 97.37 |
| Druglikeness | -7.6769 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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