N-[(Z)-(4-bromophenyl)methylideneamino]-6-chloro-2-phenylpyrimidin-4-amine
Formula:C17H12N4BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-6-chloro-2-phenylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-6-chloro-2-phenylpyrimidin-4-amine |
| MolecularFormula | C17H12N4BrCl |
| Smiles | Clc1cc(N/N=C\c(cc2)ccc2Br)nc(-c2ccccc2)n1 |
| InChI | InChI=1S/C17H12BrClN4/c18-14-8-6-12(7-9-14)11-20-23-16-10-15(19)21-17(22-16)13-4-2-1-3-5-13/h1-11H,(H,21,22,23) |
| InChIK | XGLTWLJUWJHLMI-UHFFFAOYSA-N |
| TotalMolweight | 387.667 |
| Molweight | 387.667 |
| MonoisotopicMass | 385.993384 |
| CLogP | 6.7007 |
| CLogS | -6.148 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.57 |
| Relative PSA | 0.17235 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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