N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Formula:C21H14N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H14N5O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cc(-c3cc4ccccc4cc3)n[nH]2)=O)c1Cl)=O |
| InChI | InChI=1S/C21H14ClN5O3/c22-18-8-7-17(27(29)30)10-16(18)12-23-26-21(28)20-11-19(24-25-20)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H,(H,24,25)(H,26,28) |
| InChIK | BUNJUZBWMUZSCF-UHFFFAOYSA-N |
| TotalMolweight | 419.827 |
| Molweight | 419.827 |
| MonoisotopicMass | 419.078517 |
| CLogP | 3.7782 |
| CLogS | -6.898 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.77 |
| Relative PSA | 0.29598 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 0.5502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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