N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]aniline
Formula:C18H18N4O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]aniline is a drug-like molecule.
| MolName | N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]aniline |
| MolecularFormula | C18H18N4O4 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N\Nc2ccccc2)cc1)=O |
| InChI | InChI=1S/C18H18N4O4/c23-21(24)14-10-11-16(18(12-14)22(25)26)15-8-4-5-9-17(15)20-19-13-6-2-1-3-7-13/h1-3,6-7,10-12,15,19H,4-5,8-9H2/b20-17-/t15-/m1/s1 |
| InChIK | KFXSWWMDCILEOR-JXLCAQNNSA-N |
| TotalMolweight | 354.365 |
| Molweight | 354.365 |
| MonoisotopicMass | 354.132806 |
| CLogP | 4.4928 |
| CLogS | -5.164 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 268.83 |
| Relative PSA | 0.31176 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -8.89 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]aniline | 2 - N-[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino]aniline
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