[(Z)-(1-phenylpyrazol-3-yl)methylideneamino] N-(4-chlorophenyl)carbamate
Formula:C17H13N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(Z)-(1-phenylpyrazol-3-yl)methylideneamino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-(1-phenylpyrazol-3-yl)methylideneamino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C17H13N4O2Cl |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C\c(cc1)nn1-c1ccccc1 |
| InChI | InChI=1S/C17H13ClN4O2/c18-13-6-8-14(9-7-13)20-17(23)24-19-12-15-10-11-22(21-15)16-4-2-1-3-5-16/h1-12H,(H,20,23) |
| InChIK | IDSSPCBZANWIRZ-UHFFFAOYSA-N |
| TotalMolweight | 340.769 |
| Molweight | 340.769 |
| MonoisotopicMass | 340.072703 |
| CLogP | 3.7408 |
| CLogS | -4.782 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.13 |
| Relative PSA | 0.24545 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -3.6281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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