UCSF

ZINC65336741

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 17 No

Popular Name: 3-Amino-1H-benzo[f]chromene-2-carbonitrile 3-Amino-1H-benzo[f]chromene-2-ca…

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CAS Numbers: , 141987-72-6

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) 2.52 4.99 -7.07 2 3 0 59 222.247 0 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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