(Z)-1-(2-chloro-5-nitrophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Formula:C24H22N4O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(2-chloro-5-nitrophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chloro-5-nitrophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C24H22N4O2Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)c1Cl)=O |
| InChI | InChI=1S/C24H21ClN4O2/c25-23-10-9-18(29(30)31)15-17(23)16-26-28-13-11-27(12-14-28)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24H,11-14H2/p+1 |
| InChIK | IWGKZMLRJNEDEM-UHFFFAOYSA-O |
| TotalMolweight | 433.918 |
| Molweight | 433.918 |
| MonoisotopicMass | 433.143128 |
| CLogP | 3.7983 |
| CLogS | -6.112 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.81 |
| Relative PSA | 0.19008 |
| PolarSurfaceArea | 65.86 |
| Druglikeness | -0.91139 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-(2-chloro-5-nitrophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(2-chloro-5-nitrophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
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