(NZ)-N-[[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]methylidene]hydroxylamine
Formula:C14H9N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]methylidene]hydroxylamine |
| MolecularFormula | C14H9N2O2Cl |
| Smiles | O/N=C\c1cc2c(-c(cc3)ccc3Cl)onc2cc1 |
| InChI | InChI=1S/C14H9ClN2O2/c15-11-4-2-10(3-5-11)14-12-7-9(8-16-18)1-6-13(12)17-19-14/h1-8,18H |
| InChIK | RDUFCPNLYHCHSI-UHFFFAOYSA-N |
| TotalMolweight | 272.69 |
| Molweight | 272.69 |
| MonoisotopicMass | 272.035255 |
| CLogP | 4.2977 |
| CLogS | -5.427 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.6 |
| Relative PSA | 0.24526 |
| PolarSurfaceArea | 58.62 |
| Druglikeness | 1.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]methylidene]hydroxylamine
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