UCSF

ZINC04072883

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 15 Yes

Popular Name: 6-chloro-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one 6-chloro-2-(2-hydroxyethyl)-2H-1…

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CAS Number: 191096-45-4

Other Names:

MFCD03617789

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) 1.27 0.38 -7.31 2 4 0 59 227.647 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 178 KeyOrganics

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