N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
Formula:C25H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C25H19N5O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cn(Cc2cc3ccccc3cc2)c2c1cccc2)=O |
| InChI | InChI=1S/C25H19N5O2/c31-30(32)22-11-12-25(26-15-22)28-27-14-21-17-29(24-8-4-3-7-23(21)24)16-18-9-10-19-5-1-2-6-20(19)13-18/h1-15,17H,16H2,(H,26,28) |
| InChIK | YTXWEGSCPKPUCC-UHFFFAOYSA-N |
| TotalMolweight | 421.459 |
| Molweight | 421.459 |
| MonoisotopicMass | 421.153875 |
| CLogP | 5.9939 |
| CLogS | -5.923 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.59 |
| Relative PSA | 0.22012 |
| PolarSurfaceArea | 88.03 |
| Druglikeness | -0.97103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
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