N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
Formula:C21H16N5O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C21H16N5O2F |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C/c1cn(Cc(cc2)ccc2F)c2c1cccc2)=O |
| InChI | InChI=1S/C21H16FN5O2/c22-17-7-5-15(6-8-17)13-26-14-16(19-3-1-2-4-20(19)26)11-24-25-21-10-9-18(12-23-21)27(28)29/h1-12,14H,13H2,(H,23,25) |
| InChIK | RVCQFTIVJSAIDP-UHFFFAOYSA-N |
| TotalMolweight | 389.389 |
| Molweight | 389.389 |
| MonoisotopicMass | 389.128803 |
| CLogP | 4.9003 |
| CLogS | -4.631 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 295.34 |
| Relative PSA | 0.24118 |
| PolarSurfaceArea | 88.03 |
| Druglikeness | -2.311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
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