4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
Formula:C16H16N4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide |
| MolecularFormula | C16H16N4 |
| Smiles | NC(c1ccc(/C=C\c(cc2)ccc2C(N)=N)cc1)=N |
| InChI | InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20) |
| InChIK | MMURVNDSFNJHAM-UHFFFAOYSA-N |
| TotalMolweight | 264.331 |
| Molweight | 264.331 |
| MonoisotopicMass | 264.137496 |
| CLogP | 1.2432 |
| CLogS | -2.29 |
| H Acceptors | 4 |
| H Donors | 4 |
| TotalSurfaceArea | 217.18 |
| Relative PSA | 0.28428 |
| PolarSurfaceArea | 99.74 |
| Druglikeness | -0.9864 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| BasicNitrogens | 2 |
| StereoCon |
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