UCSF

ZINC04053222

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 No

Popular Name: methyl 3-nitro-4-(1,4-thiazinan-4-yl)benzenecarboxylate methyl 3-nitro-4-(1,4-thiazinan-…

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CAS Number: 900019-33-2

Other Names:

MFCD07021496

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) 2.48 1.66 -11.6 0 6 0 75 282.321 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 82 - 84 KeyOrganics

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