N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]spiro[2.3]hexane-2-carboxamide
Formula:C22H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]spiro[2.3]hexane-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]spiro[2.3]hexane-2-carboxamide |
| MolecularFormula | C22H21N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C(/c2ccccc2)=N/NC(C(C2)C22CCC2)=O)cccc1)=O |
| InChI | InChI=1S/C22H21N3O3/c26-21(18-15-22(18)13-6-14-22)24-23-19(16-7-2-1-3-8-16)12-11-17-9-4-5-10-20(17)25(27)28/h1-5,7-12,18H,6,13-15H2,(H,24,26)/t18-/m1/s1 |
| InChIK | JGGQPJOTOLUDOS-GOSISDBHSA-N |
| TotalMolweight | 375.427 |
| Molweight | 375.427 |
| MonoisotopicMass | 375.158292 |
| CLogP | 3.5148 |
| CLogS | -6.12 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.32 |
| Relative PSA | 0.23201 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.6041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]spiro[2.3]hexane-2-carboxamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]spiro[2.3]hexane-2-carboxamide
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