N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-chlorophthalazin-1-amine
Formula:C24H18N5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-chlorophthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-chlorophthalazin-1-amine |
| MolecularFormula | C24H18N5Cl |
| Smiles | Clc(c1ccccc11)nnc1N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H18ClN5/c25-23-20-11-4-5-12-21(20)24(29-27-23)28-26-14-18-16-30(15-17-8-2-1-3-9-17)22-13-7-6-10-19(18)22/h1-14,16H,15H2,(H,28,29) |
| InChIK | ZQYWRSJGQSMDQH-UHFFFAOYSA-N |
| TotalMolweight | 411.895 |
| Molweight | 411.895 |
| MonoisotopicMass | 411.125072 |
| CLogP | 6.79 |
| CLogS | -5.511 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.1 |
| Relative PSA | 0.16485 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 4.3839 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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