UCSF

ZINC02575406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: 2-amino-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile 2-amino-5-oxo-5,6,7,8-tetrahydro…

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CAS Number: 30404-07-0

Other Names:

MFCD01815121

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) 0.00 2.19 -23.96 2 6 0 124 240.222 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 193 - 195 KeyOrganics

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Rings

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

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