UCSF

ZINC04072870

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 13 Yes

Popular Name: 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-chloro-5,6,7,8-tetrahydroquino…

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CAS Numbers: , 65242-27-5 , [65242-27-5]

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) 2.82 5.92 -6.12 0 2 0 37 192.649 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 128 - 130 Enamine Building Blocks
MP 128...130 Enamine Building Blocks
melting_point 131 - 134 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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