2-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]guanidine
Formula:C10H11N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]guanidine |
| MolecularFormula | C10H11N5O2 |
| Smiles | NC(N)=N/N=C\C=C\c1cccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C10H11N5O2/c11-10(12)14-13-6-2-4-8-3-1-5-9(7-8)15(16)17/h1-7H,(H4,11,12,14) |
| InChIK | AJGKVOJUOXIPQZ-UHFFFAOYSA-N |
| TotalMolweight | 233.23 |
| Molweight | 233.23 |
| MonoisotopicMass | 233.091275 |
| CLogP | 0.3535 |
| CLogS | -3.742 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 188.2 |
| Relative PSA | 0.44623 |
| PolarSurfaceArea | 122.58 |
| Druglikeness | -3.7425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]guanidine | 2 - 2-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]guanidine
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