(Z)-3-(5-carbamoyl-2-phenyltriazol-4-yl)prop-2-enoic acid
Formula:C12H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(5-carbamoyl-2-phenyltriazol-4-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(5-carbamoyl-2-phenyltriazol-4-yl)prop-2-enoic acid |
| MolecularFormula | C12H10N4O3 |
| Smiles | NC(c1nn(-c2ccccc2)nc1/C=C\C(O)=O)=O |
| InChI | InChI=1S/C12H10N4O3/c13-12(19)11-9(6-7-10(17)18)14-16(15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,19)(H,17,18) |
| InChIK | PKDFPKIWOYJAJE-UHFFFAOYSA-N |
| TotalMolweight | 258.236 |
| Molweight | 258.236 |
| MonoisotopicMass | 258.075291 |
| CLogP | -0.0939 |
| CLogS | -1.661 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 196.61 |
| Relative PSA | 0.42348 |
| PolarSurfaceArea | 111.1 |
| Druglikeness | 4.4384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(5-carbamoyl-2-phenyltriazol-4-yl)prop-2-enoic acid | 2 - (Z)-3-(5-carbamoyl-2-phenyltriazol-4-yl)prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off