N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
Formula:C24H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzo[cd]indol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzo[cd]indol-2-amine |
| MolecularFormula | C24H17N3O |
| Smiles | C(c1cccc(Oc2ccccc2)c1)=N\NC(c1ccc2)=Nc3c1c2ccc3 |
| InChI | InChI=1S/C24H17N3O/c1-2-10-19(11-3-1)28-20-12-4-7-17(15-20)16-25-27-24-21-13-5-8-18-9-6-14-22(26-24)23(18)21/h1-16H,(H,26,27) |
| InChIK | MISNAXKAERLHAN-UHFFFAOYSA-N |
| TotalMolweight | 363.419 |
| Molweight | 363.419 |
| MonoisotopicMass | 363.137162 |
| CLogP | 5.4488 |
| CLogS | -7.756 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.07 |
| Relative PSA | 0.15713 |
| PolarSurfaceArea | 45.98 |
| Druglikeness | 2.335 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzo[cd]indol-2-amine | 2 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
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