[1-[3-[4-[amino(nitroso)methylidene]pyridin-1-yl]propyl]pyridin-4-ylidene]-nitrosomethanamine
Formula:C15H18N6O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[3-[4-[amino(nitroso)methylidene]pyridin-1-yl]propyl]pyridin-4-ylidene]-nitrosomethanamine is a drug-like molecule.
| MolName | [1-[3-[4-[amino(nitroso)methylidene]pyridin-1-yl]propyl]pyridin-4-ylidene]-nitrosomethanamine |
| MolecularFormula | C15H18N6O2 |
| Smiles | NC(N=O)=C1C=CN(CCCN(C=C2)C=CC2=C(N)N=O)C=C1 |
| InChI | InChI=1S/C15H18N6O2/c16-14(18-22)12-2-8-20(9-3-12)6-1-7-21-10-4-13(5-11-21)15(17)19-23/h2-5,8-11H,1,6-7,16-17H2 |
| InChIK | CKJYFGDMIDFIEZ-UHFFFAOYSA-N |
| TotalMolweight | 314.348 |
| Molweight | 314.348 |
| MonoisotopicMass | 314.149124 |
| CLogP | -1.6034 |
| CLogS | -4.402 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 252.86 |
| Relative PSA | 0.34304 |
| PolarSurfaceArea | 117.38 |
| Druglikeness | 1.7507 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| BasicNitrogens | 4 |
| StereoCon |
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1 - [1-[3-[4-[amino(nitroso)methylidene]pyridin-1-yl]propyl]pyridin-4-ylidene]-nitrosomethanamine | 2 - [1-[3-[4-[amino(nitroso)methylidene]pyridin-1-yl]propyl]pyridin-4-ylidene]-nitrosomethanamine
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