2-[(E)-[(2-aminophenyl)-phenylmethylidene]amino]guanidine
Formula:C14H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-[(2-aminophenyl)-phenylmethylidene]amino]guanidine is a drug-like molecule.
| MolName | 2-[(E)-[(2-aminophenyl)-phenylmethylidene]amino]guanidine |
| MolecularFormula | C14H15N5 |
| Smiles | NC(N)=N/N=C(\c1ccccc1)/c(cccc1)c1N |
| InChI | InChI=1S/C14H15N5/c15-12-9-5-4-8-11(12)13(18-19-14(16)17)10-6-2-1-3-7-10/h1-9H,15H2,(H4,16,17,19) |
| InChIK | RDWDJHJGPMFZPB-UHFFFAOYSA-N |
| TotalMolweight | 253.308 |
| Molweight | 253.308 |
| MonoisotopicMass | 253.132745 |
| CLogP | 2.3927 |
| CLogS | -4.842 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 204.52 |
| Relative PSA | 0.33654 |
| PolarSurfaceArea | 102.78 |
| Druglikeness | 0.44927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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