UCSF

ZINC00156975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 5-Fluoro-2-methylbenzonitrile 5-Fluoro-2-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 77532-79-7 , [77532-79-7]

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) 2.23 3.49 -5.08 0 1 0 23 135.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 42-44? Alfa-Aesar
MP 42-44° Matrix Scientific
MP 43 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.