[2-chloro-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone
Formula:C22H13N5O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-chloro-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone is not a drug-like molecule.
| MolName | [2-chloro-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone |
| MolecularFormula | C22H13N5O5Cl2 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c(c(cccc1)c1n1C(c(cc2)ccc2Cl)=O)c1Cl)=O |
| InChI | InChI=1S/C22H13Cl2N5O5/c23-14-7-5-13(6-8-14)22(30)27-19-4-2-1-3-16(19)17(21(27)24)12-25-26-18-10-9-15(28(31)32)11-20(18)29(33)34/h1-12,26H |
| InChIK | OCZWQVRHWWBEBN-UHFFFAOYSA-N |
| TotalMolweight | 498.281 |
| Molweight | 498.281 |
| MonoisotopicMass | 497.029374 |
| CLogP | 6.2332 |
| CLogS | -7.984 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 348.73 |
| Relative PSA | 0.29742 |
| PolarSurfaceArea | 138.03 |
| Druglikeness | -0.73205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - [2-chloro-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone | 2 - [2-chloro-3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone
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