S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Chemical Structure Depiction of
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Compound characteristics
Compound ID: | 0167-0090 |
Compound Name: | S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate |
Molecular Weight: | 264.3 |
Molecular Formula: | C12 H12 N2 O3 S |
Smiles: | CC(=O)SC(C[N+]([O-])=O)c1c[nH]c2ccccc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.3466 |
logD: | 2.2887 |
logSw: | -2.7233 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.117 |
InChI Key: | DMTCSKCHGTYXQR-LBPRGKRZSA-N |