UCSF

ZINC01271107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 12 Yes

Popular Name: Adamantane-1-carbonitrile Adamantane-1-carbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23074-42-2 , N/A , [23074-42-2]

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) 3.04 2.06 -3.77 0 1 0 23 161.248 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 193-196? Alfa-Aesar
Melting_Point 193-196° Alfa-Aesar
MP 195 TCI
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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