[(Z)-(3-nitrophenyl)methylideneamino] N-(3-chlorophenyl)carbamate
Formula:C14H10N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] N-(3-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C14H10N3O4Cl |
| Smiles | [O-][N+](c1cccc(/C=N\OC(Nc2cccc(Cl)c2)=O)c1)=O |
| InChI | InChI=1S/C14H10ClN3O4/c15-11-4-2-5-12(8-11)17-14(19)22-16-9-10-3-1-6-13(7-10)18(20)21/h1-9H,(H,17,19) |
| InChIK | RFDFRTLOKLCYCE-UHFFFAOYSA-N |
| TotalMolweight | 319.703 |
| Molweight | 319.703 |
| MonoisotopicMass | 319.035984 |
| CLogP | 3.5964 |
| CLogS | -5.483 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 236.08 |
| Relative PSA | 0.32375 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -11.295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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