(Z)-N-[(4-chlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
Formula:C16H13N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(4-chlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine |
| MolecularFormula | C16H13N4OCl |
| Smiles | Clc1ccc(CO/N=C\c2cn(-c3ccccc3)nn2)cc1 |
| InChI | InChI=1S/C16H13ClN4O/c17-14-8-6-13(7-9-14)12-22-18-10-15-11-21(20-19-15)16-4-2-1-3-5-16/h1-11H,12H2 |
| InChIK | KFLGLFPUIVOPQS-UHFFFAOYSA-N |
| TotalMolweight | 312.759 |
| Molweight | 312.759 |
| MonoisotopicMass | 312.077788 |
| CLogP | 3.3101 |
| CLogS | -4.126 |
| H Acceptors | 5 |
| TotalSurfaceArea | 243.44 |
| Relative PSA | 0.2067 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -2.0343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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