N'-(naphthalen-2-ylamino)-N-naphthalen-2-ylimino-1-nitro-N-oxido-N-oxomethanimidamide
Formula:C21H15N5O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N'-(naphthalen-2-ylamino)-N-naphthalen-2-ylimino-1-nitro-N-oxido-N-oxomethanimidamide is not a drug-like molecule.
| MolName | N'-(naphthalen-2-ylamino)-N-naphthalen-2-ylimino-1-nitro-N-oxido-N-oxomethanimidamide |
| MolecularFormula | C21H15N5O2 |
| Smiles | [O-][N+](/C(/N=N/c1cc2ccccc2cc1)=N/Nc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C21H15N5O2/c27-26(28)21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-14,22H |
| InChIK | IQBINNRCPKWRDH-UHFFFAOYSA-N |
| TotalMolweight | 369.383 |
| Molweight | 369.383 |
| MonoisotopicMass | 369.122575 |
| CLogP | 6.6703 |
| CLogS | -7.614 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 283.34 |
| Relative PSA | 0.26968 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -8.9302 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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