N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
Formula:C17H14N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine |
| MolecularFormula | C17H14N3ClS |
| Smiles | Clc1ccc(/C=N\NCc2csc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C17H14ClN3S/c18-15-8-6-13(7-9-15)10-19-20-11-16-12-22-17(21-16)14-4-2-1-3-5-14/h1-10,12,20H,11H2 |
| InChIK | NINQHSRLLZZOKK-UHFFFAOYSA-N |
| TotalMolweight | 327.838 |
| Molweight | 327.838 |
| MonoisotopicMass | 327.059694 |
| CLogP | 4.4343 |
| CLogS | -4.679 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.88 |
| Relative PSA | 0.21473 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 5.1465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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