N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Formula:C19H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide |
| MolecularFormula | C19H14N4OCl2 |
| Smiles | O=C(c1c(CCc2c-3cccc2)c3n[nH]1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H14Cl2N4O/c20-15-8-5-11(9-16(15)21)10-22-25-19(26)18-14-7-6-12-3-1-2-4-13(12)17(14)23-24-18/h1-5,8-10H,6-7H2,(H,23,24)(H,25,26) |
| InChIK | XMCLZECGHNGDKN-UHFFFAOYSA-N |
| TotalMolweight | 385.253 |
| Molweight | 385.253 |
| MonoisotopicMass | 384.054465 |
| CLogP | 4.5842 |
| CLogS | -6.12 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.94 |
| Relative PSA | 0.2178 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.7584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off