UCSF

ZINC00085395

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 2-Oxoindoline-3-carbaldehyde 2-Oxoindoline-3-carbaldehyde

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CAS Numbers: 63273-23-4 , 78610-70-5 , [78610-70-5]

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) 1.78 1.52 -8.85 2 3 0 53 161.16 1 ↓
Mid Mid (pH 6-8) 1.78 2.61 -39.51 1 3 -1 56 160.152 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 215-217° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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