| MolName | N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C23H24N4O3 |
| Smiles | C/C(/c1cccc([N+]([O-])=O)c1)=N/NC(CCn1c(cccc2)c2c2c1CCCC2)=O |
| InChI | InChI=1S/C23H24N4O3/c1-16(17-7-6-8-18(15-17)27(29)30)24-25-23(28)13-14-26-21-11-4-2-9-19(21)20-10-3-5-12-22(20)26/h2,4,6-9,11,15H,3,5,10,12-14H2,1H3,(H,25,28) |
| InChIK | JEYZDPDAHKKBCP-UHFFFAOYSA-N |
| TotalMolweight | 404.469 |
| Molweight | 404.469 |
| MonoisotopicMass | 404.184841 |
| CLogP | 3.5499 |
| CLogS | -5.582 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 313.99 |
| Relative PSA | 0.23345 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -4.6132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide