4-(3-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3-methylanilino)-4-oxobut-2-enoic acid
4-(3-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K784-3111 |
| Compound Name: | 4-(3-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 205.21 |
| Molecular Formula: | C11 H11 N O3 |
| Smiles: | Cc1cccc(c1)NC(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8939 |
| logD: | -2.5644 |
| logSw: | -2.3512 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | GTNDLSMAJWWVCH-AATRIKPKSA-N |