UCSF

ZINC01383013

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 16 Yes

Popular Name: 3-[(4-methylphenyl)sulfanyl]-2-pyrazinecarbonitrile 3-[(4-methylphenyl)sulfanyl]-2-p…

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CAS Number: 303146-79-4

Other Names:

MFCD00974058

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) 2.93 0.85 -8.79 0 3 0 50 227.292 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 111 KeyOrganics

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Rings

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