2-methyl-5,7-dinitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-methyl-5,7-dinitroquinazolin-4(3H)-one
2-methyl-5,7-dinitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-6403 |
| Compound Name: | 2-methyl-5,7-dinitroquinazolin-4(3H)-one |
| Molecular Weight: | 250.17 |
| Molecular Formula: | C9 H6 N4 O5 |
| Smiles: | CC1NC(c2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9464 |
| logD: | 0.5546 |
| logSw: | -2.3923 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.297 |
| InChI Key: | PVJGXZNOFSWWSS-UHFFFAOYSA-N |