2,4-dinitro-N-[(Z)-(2-phenylcycloheptylidene)amino]aniline
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-(2-phenylcycloheptylidene)amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-(2-phenylcycloheptylidene)amino]aniline |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CCCCC1)\C1c1ccccc1)=O |
| InChI | InChI=1S/C19H20N4O4/c24-22(25)15-11-12-18(19(13-15)23(26)27)21-20-17-10-6-2-5-9-16(17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,16,21H,2,5-6,9-10H2/t16-/m0/s1 |
| InChIK | IHRPWSXWLYWEMJ-INIZCTEOSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 4.8348 |
| CLogS | -5.434 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 282.59 |
| Relative PSA | 0.29658 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -8.89 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - 2,4-dinitro-N-[(Z)-(2-phenylcycloheptylidene)amino]aniline | 2 - 2,4-dinitro-N-[(Z)-(2-phenylcycloheptylidene)amino]aniline
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