1-naphthalen-2-yl-3-[(Z)-(4-nitrophenyl)methylideneamino]urea
Formula:C18H14N4O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
1-naphthalen-2-yl-3-[(Z)-(4-nitrophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-naphthalen-2-yl-3-[(Z)-(4-nitrophenyl)methylideneamino]urea |
| MolecularFormula | C18H14N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Nc2cc3ccccc3cc2)=O)cc1)=O |
| InChI | InChI=1S/C18H14N4O3/c23-18(20-16-8-7-14-3-1-2-4-15(14)11-16)21-19-12-13-5-9-17(10-6-13)22(24)25/h1-12H,(H2,20,21,23) |
| InChIK | DAIGGMQSRPNLMQ-UHFFFAOYSA-N |
| TotalMolweight | 334.334 |
| Molweight | 334.334 |
| MonoisotopicMass | 334.106591 |
| CLogP | 3.4683 |
| CLogS | -6.303 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.72 |
| Relative PSA | 0.3034 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -1.4078 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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