N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-nitroaniline
Formula:C16H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-nitroaniline |
| MolecularFormula | C16H15N3O2 |
| Smiles | [O-][N+](c1cc(N/N=C(/CCC2)\c3c2cccc3)ccc1)=O |
| InChI | InChI=1S/C16H15N3O2/c20-19(21)14-8-4-7-13(11-14)17-18-16-10-3-6-12-5-1-2-9-15(12)16/h1-2,4-5,7-9,11,17H,3,6,10H2 |
| InChIK | IAYQGXMDGFFLGJ-UHFFFAOYSA-N |
| TotalMolweight | 281.314 |
| Molweight | 281.314 |
| MonoisotopicMass | 281.116427 |
| CLogP | 4.592 |
| CLogS | -4.558 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.9 |
| Relative PSA | 0.2439 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -6.8932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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