BROMAMPHENICOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

Nitrobenzenes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Nitrobenzenes

Calculated Property

kind Value Source
logP 1.41 ALOGPS
logS -3.1 ALOGPS
Water Solubility 3.44e-01 g/l ALOGPS
logP 0.56 ChemAxon
IUPAC Name 2,2-dibromo-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide ChemAxon
Traditional IUPAC Name bromamphenicol ChemAxon
Molecular Weight 412.031 ChemAxon
Monoisotopic Weight 409.911296798 ChemAxon
SMILES [H][C@](CO)(NC(=O)C(Br)Br)[C@]([H])(O)C1=CC=C(C=C1)[N+]([O-])=O ChemAxon
Molecular Formula C11H12Br2N2O5 ChemAxon
InChI InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 ChemAxon
InChIKey InChIKey=UWOHGNMWBGIRAQ-RKDXNWHRSA-N ChemAxon
Polar Surface Area (PSA) 115.38 ChemAxon
Refractivity 78.83 ChemAxon
Polarizability 30.17 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 7.67 ChemAxon
pKa (strongest basic) -2.8 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Dr hemagglutinin structural subunit : in Escherichia coli