(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-(furan-2-yl)prop-2-enamide
Formula:C19H13N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C19H13N4O2Cl |
| Smiles | O=C(/C=C/c1ccco1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl |
| InChI | InChI=1S/C19H13ClN4O2/c20-15-11-17-18(23-24(22-17)13-5-2-1-3-6-13)12-16(15)21-19(25)9-8-14-7-4-10-26-14/h1-12H,(H,21,25) |
| InChIK | FLPMJARZUUXPSF-UHFFFAOYSA-N |
| TotalMolweight | 364.791 |
| Molweight | 364.791 |
| MonoisotopicMass | 364.072703 |
| CLogP | 3.6073 |
| CLogS | -4.837 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.92 |
| Relative PSA | 0.24523 |
| PolarSurfaceArea | 72.95 |
| Druglikeness | 2.6973 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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