UCSF

ZINC19737612

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 23 Yes

Popular Name: (2-Chlorophenyl)-N-[2-(hexyloxy)benzyl]methanamine (2-Chlorophenyl)-N-[2-(hexyloxy)…

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CAS Number: 1040684-76-1

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) 5.98 12.19 -33.93 2 2 1 26 332.895 10 ↓
Hi High (pH 8-9.5) 5.98 10.73 -3.89 1 2 0 21 331.887 10 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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