(NZ)-N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Formula:C14H10N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C14H10N3OClS |
| Smiles | O/N=C\c1cn(-c2ccccc2)nc1-c(s1)ccc1Cl |
| InChI | InChI=1S/C14H10ClN3OS/c15-13-7-6-12(20-13)14-10(8-16-19)9-18(17-14)11-4-2-1-3-5-11/h1-9,19H |
| InChIK | RHZDIFDSANQRSX-UHFFFAOYSA-N |
| TotalMolweight | 303.772 |
| Molweight | 303.772 |
| MonoisotopicMass | 303.023309 |
| CLogP | 3.9675 |
| CLogS | -4.502 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.21 |
| Relative PSA | 0.28139 |
| PolarSurfaceArea | 78.65 |
| Druglikeness | 4.2013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off