N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]naphthalen-1-amine
Formula:C19H15N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]naphthalen-1-amine is a drug-like molecule.
| MolName | N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]naphthalen-1-amine |
| MolecularFormula | C19H15N5 |
| Smiles | C(c1nnnn1-c1ccccc1)=C/Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H15N5/c1-2-9-16(10-3-1)24-19(21-22-23-24)13-14-20-18-12-6-8-15-7-4-5-11-17(15)18/h1-14,20H |
| InChIK | VZFFZWPHNOCCIF-UHFFFAOYSA-N |
| TotalMolweight | 313.363 |
| Molweight | 313.363 |
| MonoisotopicMass | 313.132745 |
| CLogP | 3.0198 |
| CLogS | -4.887 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.82 |
| Relative PSA | 0.20429 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | 0.535 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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