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Chem Butanol 2 | Cheminformatics

Butanol


  • SKU Code: CH136815
Chemical Name - Butanol
Mol Weight - 74.1224
Smiles - CCCCO
Property Name Property Value
Mol NameButanol
Molweight74.1224
Monoisotopic Mass74.073165
Clogp0.9593
Clogs-1.017
H Acceptors1
H Donors1
Total Surface Area73.39
Relative Psa0.1785
Polar Surface Area20.23
Druglikeness-6.3463
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.60448
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Sp3 Atoms5
SmilesCCCCO
InChIKey
InChIC4H10O

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1 - Butanol
2 - Butanol
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