UCSF

ZINC38340188

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 15 Yes

Popular Name: 2-(3-chlorophenyl)-2-pyrrolidin-1-ylethanamine 2-(3-chlorophenyl)-2-pyrrolidin-…

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CAS Number: 866781-98-8

Other Names:

MFCD09057606

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) 1.79 6.04 -119.64 4 2 2 32 226.751 3 ↓
Hi High (pH 8-9.5) 1.79 6.39 -30.04 3 2 1 30 225.743 3 ↓
Mid Mid (pH 6-8) 1.79 3.6 -43.72 3 2 1 31 225.743 3 ↓

Vendor Notes

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

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