1-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]tetrazol-5-amine
Formula:C10H9N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]tetrazol-5-amine |
| MolecularFormula | C10H9N7O2 |
| Smiles | Nc1nnnn1/N=C\C=C\c1cccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C10H9N7O2/c11-10-13-14-15-16(10)12-6-2-4-8-3-1-5-9(7-8)17(18)19/h1-7H,(H2,11,13,15) |
| InChIK | VFZBLCSLDGVQJK-UHFFFAOYSA-N |
| TotalMolweight | 259.228 |
| Molweight | 259.228 |
| MonoisotopicMass | 259.081773 |
| CLogP | 0.3232 |
| CLogS | -4.539 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 201.95 |
| Relative PSA | 0.48022 |
| PolarSurfaceArea | 127.8 |
| Druglikeness | -3.926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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