N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]-6-fluoropyridin-2-amine
Formula:C17H16N5O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]-6-fluoropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]-6-fluoropyridin-2-amine |
| MolecularFormula | C17H16N5O4F |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N\Nc2cccc(F)n2)cc1)=O |
| InChI | InChI=1S/C17H16FN5O4/c18-16-6-3-7-17(19-16)21-20-14-5-2-1-4-12(14)13-9-8-11(22(24)25)10-15(13)23(26)27/h3,6-10,12H,1-2,4-5H2,(H,19,21)/t12-/m1/s1 |
| InChIK | XKXUVHGBUPCOEW-GFCCVEGCSA-N |
| TotalMolweight | 373.343 |
| Molweight | 373.343 |
| MonoisotopicMass | 373.118633 |
| CLogP | 4.1251 |
| CLogS | -5.733 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 273.94 |
| Relative PSA | 0.34599 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -10.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]-6-fluoropyridin-2-amine | 2 - N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]-6-fluoropyridin-2-amine
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