UCSF

ZINC19810478

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 11 Yes

Popular Name: 5-Chloro-2,3-dihydro-1H-inden-1-amine 5-Chloro-2,3-dihydro-1H-inden-1-…

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CAS Numbers: 1197668-23-7 , 67120-39-2 , 945950-78-7 , [1197668-23-7]

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) 0.34 4.14 -49.97 3 1 1 28 168.647 0 ↓
Hi High (pH 8-9.5) 0.34 3.82 -3.29 2 1 0 26 167.639 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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Analogs ( Draw Identity 99% 90% 80% 70% )