N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dinitroaniline
Formula:C15H12N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dinitroaniline is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dinitroaniline |
| MolecularFormula | C15H12N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CC1)\c2c1cccc2)=O |
| InChI | InChI=1S/C15H12N4O4/c20-18(21)11-6-8-14(15(9-11)19(22)23)17-16-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,17H,5,7H2 |
| InChIK | NQCDWRIWARFUKB-UHFFFAOYSA-N |
| TotalMolweight | 312.284 |
| Molweight | 312.284 |
| MonoisotopicMass | 312.085856 |
| CLogP | 3.3284 |
| CLogS | -4.748 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 228.81 |
| Relative PSA | 0.36629 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -5.0132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dinitroaniline | 2 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dinitroaniline
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