UCSF

ZINC16124134

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: 3-(3-Chlorophenoxy)propylamine 3-(3-Chlorophenoxy)propylamine

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CAS Number: 116753-50-5

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) 1.72 3.42 -45.15 3 2 1 37 186.662 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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