Chem N Butyric Acid Molychem | Cheminformatics
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2D Structure

N-Butyric Acid


  • SKU Code: CH140849
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Chemical Name - N-Butyric Acid
Mol Weight - 88.1055
Smiles - CCCC(O)=O
Property Name Property Value
Mol NameN-Butyric Acid
Molweight88.1055
Monoisotopic Mass88.05243
Clogp0.6097
Clogs-0.999
H Acceptors2
H Donors1
Total Surface Area77.38
Relative Psa0.33781
Polar Surface Area37.3
Druglikeness-3.94
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.83333
Molecular Flexibility0.72958
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms4
Acidic Oxygens1
SmilesCCCC(O)=O
InChIKeyInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIFERIUCNNQQJTOY-UHFFFAOYSA-N

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