[(Z)-[4-(4-nitrophenyl)-1-phenylbutylidene]amino]urea
Formula:C17H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(4-nitrophenyl)-1-phenylbutylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[4-(4-nitrophenyl)-1-phenylbutylidene]amino]urea |
| MolecularFormula | C17H18N4O3 |
| Smiles | NC(N/N=C(/CCCc(cc1)ccc1[N+]([O-])=O)\c1ccccc1)=O |
| InChI | InChI=1S/C17H18N4O3/c18-17(22)20-19-16(14-6-2-1-3-7-14)8-4-5-13-9-11-15(12-10-13)21(23)24/h1-3,6-7,9-12H,4-5,8H2,(H3,18,20,22) |
| InChIK | SUSWREWIFQDRFU-UHFFFAOYSA-N |
| TotalMolweight | 326.355 |
| Molweight | 326.355 |
| MonoisotopicMass | 326.137891 |
| CLogP | 2.5023 |
| CLogS | -5.309 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 258.67 |
| Relative PSA | 0.31585 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -4.7835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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