N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
Formula:C18H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide |
| MolecularFormula | C18H15N4OCl |
| Smiles | O=C(c1cc(Cn2nccc2)ccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H15ClN4O/c19-17-8-2-1-6-16(17)12-20-22-18(24)15-7-3-5-14(11-15)13-23-10-4-9-21-23/h1-12H,13H2,(H,22,24) |
| InChIK | BMYMASWRWMBAGH-UHFFFAOYSA-N |
| TotalMolweight | 338.797 |
| Molweight | 338.797 |
| MonoisotopicMass | 338.093438 |
| CLogP | 3.2274 |
| CLogS | -4.014 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.89 |
| Relative PSA | 0.20406 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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