(3-chlorophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C27H21N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-chlorophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
| MolName | (3-chlorophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C27H21N4O5Cl |
| Smiles | [O-][N+](c1cccc(C(C2CCC3)N(C(c4cccc(Cl)c4)=O)N=C2/C3=C\c2cc([N+]([O-])=O)ccc2)c1)=O |
| InChI | InChI=1S/C27H21ClN4O5/c28-21-9-2-8-20(15-21)27(33)30-26(19-7-3-11-23(16-19)32(36)37)24-12-4-6-18(25(24)29-30)13-17-5-1-10-22(14-17)31(34)35/h1-3,5,7-11,13-16,24,26H,4,6,12H2 |
| InChIK | KOSDZVKENJHQKY-UHFFFAOYSA-N |
| TotalMolweight | 516.94 |
| Molweight | 516.94 |
| MonoisotopicMass | 516.120048 |
| CLogP | 4.6193 |
| CLogS | -7.228 |
| H Acceptors | 9 |
| TotalSurfaceArea | 370.55 |
| Relative PSA | 0.24002 |
| PolarSurfaceArea | 124.31 |
| Druglikeness | -4.3169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3-chlorophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - (3-chlorophenyl)-[(7Z)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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