3-amino-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
Formula:C16H17N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-amino-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | 3-amino-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide |
| MolecularFormula | C16H17N5 |
| Smiles | NC(c1ccc(/C=C/c(ccc(C(N)=N)c2)c2N)cc1)=N |
| InChI | InChI=1S/C16H17N5/c17-14-9-13(16(20)21)8-7-11(14)4-1-10-2-5-12(6-3-10)15(18)19/h1-9H,17H2,(H3,18,19)(H3,20,21) |
| InChIK | YZGMZUFNZHEFFQ-UHFFFAOYSA-N |
| TotalMolweight | 279.346 |
| Molweight | 279.346 |
| MonoisotopicMass | 279.148395 |
| CLogP | 0.5659 |
| CLogS | -2.366 |
| H Acceptors | 5 |
| H Donors | 5 |
| TotalSurfaceArea | 225.7 |
| Relative PSA | 0.34121 |
| PolarSurfaceArea | 125.76 |
| Druglikeness | -0.9864 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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