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Chem Dbp | Cheminformatics

DBP


  • SKU Code: CH136727
Chemical Name - DBP
Mol Weight - 278.347
Smiles - CCCCOC(c(cccc1)c1C(OCCCC)=O)=O
Property Name Property Value
Mol NameDBP
Molweight278.347
Monoisotopic Mass278.15181
Clogp4.1158
Clogs-3.578
H Acceptors4
Total Surface Area235.84
Relative Psa0.19539
Polar Surface Area52.6
Druglikeness-6.4287
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.7
Molecular Flexibility0.54357
Molecular Complexity0.70997
Fragments1
Non H Atoms20
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds10
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms10
Symmetric Atoms10
SmilesCCCCOC(c(cccc1)c1C(OCCCC)=O)=O
InChIKey
InChIC16H22O4

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