UCSF

ZINC02545389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

Popular Name: 4-(trans-4-Pentylcyclohexyl)-benzonitrile 4-(trans-4-Pentylcyclohexyl)-ben…

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CAS Numbers: 306962-78-7 , 61204-01-1 , 86871-36-5 , N/A , [61204-01-1]

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) 6.08 12.27 -4.04 0 1 0 24 255.405 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 30 TCI
Melting_Point 30-55? Alfa-Aesar
Melting_Point 30-55° Alfa-Aesar
Purity 97% Fluorochem

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