4-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine
Formula:C14H10N5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C14H10N5Cl |
| Smiles | Clc(c1ccccc11)nnc1N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H10ClN5/c15-13-11-5-1-2-6-12(11)14(20-18-13)19-17-9-10-4-3-7-16-8-10/h1-9H,(H,19,20) |
| InChIK | ZLDMERSRRLQWIV-UHFFFAOYSA-N |
| TotalMolweight | 283.721 |
| Molweight | 283.721 |
| MonoisotopicMass | 283.062472 |
| CLogP | 4.2594 |
| CLogS | -3.738 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.54 |
| Relative PSA | 0.25926 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine | 2 - 4-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off