Chem 6 Bromo Hexanoic Acid | Cheminformatics
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2D Structure

6-Bromo Hexanoic Acid


  • SKU Code: CH138459
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Chemical Name - 6-Bromo Hexanoic Acid
Mol Weight - 195.055
Smiles - OC(CCCCCBr)=O
Property Name Property Value
Mol Name6-Bromo Hexanoic Acid
Molweight195.055
Monoisotopic Mass193.994241
Clogp1.8788
Clogs-2.082
H Acceptors2
H Donors1
Total Surface Area125.03
Relative Psa0.20907
Polar Surface Area37.3
Druglikeness-29.565
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.88889
Molecular Flexibility0.62384
Molecular Complexity0.44794
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds5
Sp3 Atoms6
Acidic Oxygens1
SmilesOC(CCCCCBr)=O
InChIKeyInChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChINVRVNSHHLPQGCU-UHFFFAOYSA-N

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