4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine
Formula:C18H15N5O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine is a drug-like molecule.
| MolName | 4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine |
| MolecularFormula | C18H15N5O2 |
| Smiles | [O-][N+](c1c(N2CC2)nc(-c2cccc3ccccc23)nc1N1CC1)=O |
| InChI | InChI=1S/C18H15N5O2/c24-23(25)15-17(21-8-9-21)19-16(20-18(15)22-10-11-22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2 |
| InChIK | XZLACTINIXLYNN-UHFFFAOYSA-N |
| TotalMolweight | 333.35 |
| Molweight | 333.35 |
| MonoisotopicMass | 333.122575 |
| CLogP | 2.329 |
| CLogS | -6.237 |
| H Acceptors | 7 |
| TotalSurfaceArea | 233.45 |
| Relative PSA | 0.23757 |
| PolarSurfaceArea | 77.62 |
| Druglikeness | -3.3859 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; oxiran/aziridine |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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