N-[2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-yl]hydroxylamine
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-yl]hydroxylamine is a drug-like molecule.
| MolName | N-[2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-yl]hydroxylamine |
| MolecularFormula | C16H15N3O |
| Smiles | ONC1=NC(/C=C/c2ccccc2)Nc2c1cccc2 |
| InChI | InChI=1S/C16H15N3O/c20-19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11,15,17,20H,(H,18,19)/t15-/m0/s1 |
| InChIK | FMOSHFOTHALXFD-HNNXBMFYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 2.1478 |
| CLogS | -4.027 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 210.76 |
| Relative PSA | 0.22552 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 0.046079 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - N-[2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-yl]hydroxylamine | 2 - N-[2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-yl]hydroxylamine
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