N-[(Z)-(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline
Formula:C16H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline |
| MolecularFormula | C16H18N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CCC1)\C1=C1CCCC1)=O |
| InChI | InChI=1S/C16H18N4O4/c21-19(22)12-8-9-15(16(10-12)20(23)24)18-17-14-7-3-6-13(14)11-4-1-2-5-11/h8-10,18H,1-7H2 |
| InChIK | YGWRVUUUCUHZGP-UHFFFAOYSA-N |
| TotalMolweight | 330.343 |
| Molweight | 330.343 |
| MonoisotopicMass | 330.132806 |
| CLogP | 3.7442 |
| CLogS | -4.577 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 247.27 |
| Relative PSA | 0.33894 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -6.1122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline | 2 - N-[(Z)-(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline
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