N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
Formula:C25H19N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C25H19N5O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2)=O |
| InChI | InChI=1S/C25H19N5O2/c31-30(32)21-12-13-25(26-15-21)28-27-14-20-17-29(24-11-4-3-10-23(20)24)16-19-8-5-7-18-6-1-2-9-22(18)19/h1-15,17H,16H2,(H,26,28) |
| InChIK | YYCITGJQKKGNSH-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 | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| 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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