N-[(Z)-(2-chloro-1-phenylindol-3-yl)methylideneamino]-4-nitroaniline
Formula:C21H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-1-phenylindol-3-yl)methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-1-phenylindol-3-yl)methylideneamino]-4-nitroaniline |
| MolecularFormula | C21H15N4O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(c(cccc1)c1n1-c2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C21H15ClN4O2/c22-21-19(14-23-24-15-10-12-17(13-11-15)26(27)28)18-8-4-5-9-20(18)25(21)16-6-2-1-3-7-16/h1-14,24H |
| InChIK | NNVUJMYCLLPSDT-UHFFFAOYSA-N |
| TotalMolweight | 390.829 |
| Molweight | 390.829 |
| MonoisotopicMass | 390.088353 |
| CLogP | 6.1245 |
| CLogS | -7.922 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.89 |
| Relative PSA | 0.20645 |
| PolarSurfaceArea | 75.14 |
| Druglikeness | -1.7195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-1-phenylindol-3-yl)methylideneamino]-4-nitroaniline | 2 - N-[(Z)-(2-chloro-1-phenylindol-3-yl)methylideneamino]-4-nitroaniline
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