[(E)-[5-(4-nitrophenyl)-1-phenylpyridazin-4-ylidene]amino]urea
Formula:C17H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(E)-[5-(4-nitrophenyl)-1-phenylpyridazin-4-ylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[5-(4-nitrophenyl)-1-phenylpyridazin-4-ylidene]amino]urea |
| MolecularFormula | C17H14N6O3 |
| Smiles | NC(N/N=C1\C(c(cc2)ccc2[N+]([O-])=O)=CN(c2ccccc2)N=C1)=O |
| InChI | InChI=1S/C17H14N6O3/c18-17(24)21-20-16-10-19-22(13-4-2-1-3-5-13)11-15(16)12-6-8-14(9-7-12)23(25)26/h1-11H,(H3,18,21,24) |
| InChIK | SFWKOVMJUGURCQ-UHFFFAOYSA-N |
| TotalMolweight | 350.337 |
| Molweight | 350.337 |
| MonoisotopicMass | 350.112739 |
| CLogP | 1.3661 |
| CLogS | -4.284 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 263.66 |
| Relative PSA | 0.36699 |
| PolarSurfaceArea | 128.9 |
| Druglikeness | 0.35409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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