UCSF

ZINC00533530

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2-chloro-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile 2-chloro-5H,6H,7H-cyclopenta[b]p…

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CAS Number: 113511-27-6

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) 2.30 5.33 -6.76 0 2 0 37 178.622 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
MP 129 - 131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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