[2-chloro-3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone
Formula:C22H14N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-chloro-3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone is not a drug-like molecule.
| MolName | [2-chloro-3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone |
| MolecularFormula | C22H14N4O3Cl2 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\c(c(cccc1)c1n1C(c(cc2)ccc2Cl)=O)c1Cl)=O |
| InChI | InChI=1S/C22H14Cl2N4O3/c23-15-11-9-14(10-12-15)22(29)27-19-7-3-1-5-16(19)17(21(27)24)13-25-26-18-6-2-4-8-20(18)28(30)31/h1-13,26H |
| InChIK | TWESTNQQRAJGQJ-UHFFFAOYSA-N |
| TotalMolweight | 453.284 |
| Molweight | 453.284 |
| MonoisotopicMass | 452.044295 |
| CLogP | 7.1548 |
| CLogS | -7.524 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.06 |
| Relative PSA | 0.2255 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -0.73205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-chloro-3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone | 2 - [2-chloro-3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]-(4-chlorophenyl)methanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off