UCSF

ZINC00172191

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: N-(2H-1,3-benzodioxol-5-ylmethyl)aniline N-(2H-1,3-benzodioxol-5-ylmethyl…

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CAS Number: 3526-42-9

Other Names:

MFCD01468475

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) 3.08 -1.08 -5.85 1 3 0 30 227.263 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 78 - 80 Enamine Building Blocks
MP 78...80 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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