2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-nitrobenzamide
Formula:C17H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-nitrobenzamide |
| MolecularFormula | C17H14N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C(/CCC1)\c2c1cccc2)=O)=O |
| InChI | InChI=1S/C17H14ClN3O3/c18-15-10-12(21(23)24)8-9-14(15)17(22)20-19-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10H,3,5,7H2,(H,20,22) |
| InChIK | MOBGYJCAIDFKSP-UHFFFAOYSA-N |
| TotalMolweight | 343.769 |
| Molweight | 343.769 |
| MonoisotopicMass | 343.072369 |
| CLogP | 3.5587 |
| CLogS | -5.866 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.07 |
| Relative PSA | 0.26354 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -4.6195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-nitrobenzamide | 2 - 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-nitrobenzamide
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