[(Z)-[2-(4-bromophenoxy)-5-nitrophenyl]methylideneamino]thiourea
Formula:C14H11N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-(4-bromophenoxy)-5-nitrophenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[2-(4-bromophenoxy)-5-nitrophenyl]methylideneamino]thiourea |
| MolecularFormula | C14H11N4O3BrS |
| Smiles | NC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1Oc(cc1)ccc1Br)=S |
| InChI | InChI=1S/C14H11BrN4O3S/c15-10-1-4-12(5-2-10)22-13-6-3-11(19(20)21)7-9(13)8-17-18-14(16)23/h1-8H,(H3,16,18,23) |
| InChIK | GMGJZIMENMRIKX-UHFFFAOYSA-N |
| TotalMolweight | 395.236 |
| Molweight | 395.236 |
| MonoisotopicMass | 393.973522 |
| CLogP | 2.7312 |
| CLogS | -6.489 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.77 |
| Relative PSA | 0.40591 |
| PolarSurfaceArea | 137.55 |
| Druglikeness | -4.8771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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