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Chem Propyl Paraben 2 | Cheminformatics

Propyl paraben


  • SKU Code: CH138185
Chemical Name - Propyl paraben
Mol Weight - 180.202
Smiles - CCCOC(c(cc1)ccc1O)=O
Property Name Property Value
Mol NamePropyl paraben
Molweight180.202
Monoisotopic Mass180.078645
Clogp2.0876
Clogs-2.031
H Acceptors3
H Donors1
Total Surface Area147.14
Relative Psa0.24562
Polar Surface Area46.53
Druglikeness-1.5944
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.76923
Molecular Flexibility0.48135
Molecular Complexity0.56122
Fragments1
Non H Atoms13
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms5
Symmetric Atoms2
SmilesCCCOC(c(cc1)ccc1O)=O
InChIKeyInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIQELSKZZBTMNZEB-UHFFFAOYSA-N

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1 - Propyl paraben
2 - Propyl paraben
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