UCSF

ZINC01850896

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 6 No

Popular Name: Isopropyl isocyanate Isopropyl isocyanate

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CAS Number: 1795-48-8

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) 0.74 0.08 -2.45 0 2 0 29 85.106 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 74-75? Alfa-Aesar
Boiling_Point 74-75° Alfa-Aesar

Activity (Go SEA)

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

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