2-[[1-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
Formula:C24H17N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[[1-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[1-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile |
| MolecularFormula | C24H17N5O3 |
| Smiles | N#Cc1c(COc2c(/C=N\Nc(cc3)ncc3[N+]([O-])=O)c3ccccc3cc2)cccc1 |
| InChI | InChI=1S/C24H17N5O3/c25-13-18-6-1-2-7-19(18)16-32-23-11-9-17-5-3-4-8-21(17)22(23)15-27-28-24-12-10-20(14-26-24)29(30)31/h1-12,14-15H,16H2,(H,26,28) |
| InChIK | IRFCVVOFCGWONE-UHFFFAOYSA-N |
| TotalMolweight | 423.431 |
| Molweight | 423.431 |
| MonoisotopicMass | 423.13314 |
| CLogP | 5.6479 |
| CLogS | -7.059 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 331.5 |
| Relative PSA | 0.26522 |
| PolarSurfaceArea | 116.12 |
| Druglikeness | -7.8599 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[1-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile | 2 - 2-[[1-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
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