N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Formula:C22H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C22H22N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCn2c(cccc3)c3c3c2CCCC3)=O)cc1)=O |
| InChI | InChI=1S/C22H22N4O3/c27-22(24-23-15-16-9-11-17(12-10-16)26(28)29)13-14-25-20-7-3-1-5-18(20)19-6-2-4-8-21(19)25/h1,3,5,7,9-12,15H,2,4,6,8,13-14H2,(H,24,27) |
| InChIK | HMCBCQPLCJLVAK-UHFFFAOYSA-N |
| TotalMolweight | 390.442 |
| Molweight | 390.442 |
| MonoisotopicMass | 390.169191 |
| CLogP | 3.612 |
| CLogS | -5.222 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.52 |
| Relative PSA | 0.2415 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -3.7211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
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