[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-1-carboxylate
Formula:C19H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-1-carboxylate |
| MolecularFormula | C19H15N3O4 |
| Smiles | N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C19H15N3O4/c20-18(12-13-8-10-15(11-9-13)22(24)25)21-26-19(23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H2,20,21) |
| InChIK | NENWVECFLRLQNR-UHFFFAOYSA-N |
| TotalMolweight | 349.345 |
| Molweight | 349.345 |
| MonoisotopicMass | 349.106257 |
| CLogP | 3.343 |
| CLogS | -5.567 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 264.29 |
| Relative PSA | 0.30361 |
| PolarSurfaceArea | 110.5 |
| Druglikeness | -7.8567 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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