| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H12FN5O.H2O |
| Molecular Weight | 327.3131 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@]1(NC(=O)C2=CC(=CC=C12)C3=CNN=C3)C4=NC=NC=C4F
InChI
InChIKey=WSICFXBHDWUFRU-PKLMIRHRSA-N
InChI=1S/C16H12FN5O.H2O/c1-16(14-13(17)7-18-8-19-14)12-3-2-9(10-5-20-21-6-10)4-11(12)15(23)22-16;/h2-8H,1H3,(H,20,21)(H,22,23);1H2/t16-;/m1./s1
| Molecular Formula | C16H12FN5O |
| Molecular Weight | 309.2978 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
