N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H14N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H14N5O3Cl |
| Smiles | [O-][N+](c1ccc(Cn(cc2)nc2C(N/N=C\c(cccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C18H14ClN5O3/c19-16-4-2-1-3-14(16)11-20-21-18(25)17-9-10-23(22-17)12-13-5-7-15(8-6-13)24(26)27/h1-11H,12H2,(H,21,25) |
| InChIK | DMTZPHMULIXFEI-UHFFFAOYSA-N |
| TotalMolweight | 383.794 |
| Molweight | 383.794 |
| MonoisotopicMass | 383.078517 |
| CLogP | 2.3598 |
| CLogS | -4.498 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 287.56 |
| Relative PSA | 0.29305 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 2.0962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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