UCSF

ZINC04529576

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 10 Yes

Popular Name: 3-Methylcyclohexanecarboxylic acid 3-Methylcyclohexanecarboxylic acid

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CAS Numbers: 13293-59-9 , [13293-59-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 4.86 -47.84 0 2 -1 40 141.19 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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