3-chloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
Formula:C17H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline |
| MolecularFormula | C17H18N3OCl |
| Smiles | Clc1cc(N/N=C\c(cc2)ccc2N2CCOCC2)ccc1 |
| InChI | InChI=1S/C17H18ClN3O/c18-15-2-1-3-16(12-15)20-19-13-14-4-6-17(7-5-14)21-8-10-22-11-9-21/h1-7,12-13,20H,8-11H2 |
| InChIK | VGOYOZSCGMVEJZ-UHFFFAOYSA-N |
| TotalMolweight | 315.803 |
| Molweight | 315.803 |
| MonoisotopicMass | 315.113839 |
| CLogP | 5.1159 |
| CLogS | -3.988 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.5 |
| Relative PSA | 0.14815 |
| PolarSurfaceArea | 36.86 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline | 2 - 3-chloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
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