3-[3-(4-chlorophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K229-0966 |
Compound Name: | 3-[3-(4-chlorophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one |
Molecular Weight: | 355.73 |
Molecular Formula: | C18 H10 Cl N O5 |
Smiles: | C(=C/c1ccc(cc1)[Cl])\C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1903 |
logD: | 4.1903 |
logSw: | -5.0512 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 67.517 |
InChI Key: | MPFZYAYQSCYIGR-UHFFFAOYSA-N |