(NZ)-N-(3-bromo-2-nitrofluoren-9-ylidene)hydroxylamine
Formula:C13H7N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-(3-bromo-2-nitrofluoren-9-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(3-bromo-2-nitrofluoren-9-ylidene)hydroxylamine |
| MolecularFormula | C13H7N2O3Br |
| Smiles | [O-][N+](c(cc(c(-c1c2cccc1)c1)/C2=N\O)c1Br)=O |
| InChI | InChI=1S/C13H7BrN2O3/c14-11-5-9-7-3-1-2-4-8(7)13(15-17)10(9)6-12(11)16(18)19/h1-6,17H |
| InChIK | OKBCIYJFGIGJNS-UHFFFAOYSA-N |
| TotalMolweight | 319.114 |
| Molweight | 319.114 |
| MonoisotopicMass | 317.964004 |
| CLogP | 3.6009 |
| CLogS | -6.385 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.14 |
| Relative PSA | 0.2879 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -8.4135 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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