UCSF

ZINC02635409

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 15 Yes

Popular Name: 2-(1-azepanyl)-5-chloroaniline 2-(1-azepanyl)-5-chloroaniline

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CAS Numbers: 1052540-85-8 , 710301-04-5 , N/A , [710301-04-5]

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) 3.54 6.98 -1.46 2 2 0 29 224.735 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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