[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]urea
Formula:C17H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]urea |
| MolecularFormula | C17H13N5O2 |
| Smiles | NC(N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1)=O |
| InChI | InChI=1S/C17H13N5O2/c18-17(23)22-21-16-11(9-10-5-1-4-8-14(10)24-16)15-19-12-6-2-3-7-13(12)20-15/h1-9H,(H,19,20)(H3,18,22,23) |
| InChIK | QVKMKXNQXMBLAY-UHFFFAOYSA-N |
| TotalMolweight | 319.323 |
| Molweight | 319.323 |
| MonoisotopicMass | 319.106925 |
| CLogP | 1.7841 |
| CLogS | -3.696 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 237.86 |
| Relative PSA | 0.36257 |
| PolarSurfaceArea | 105.39 |
| Druglikeness | 3.9548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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