UCSF

ZINC01532112

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 2,4-Dinitrotoluene 2,4-Dinitrotoluene

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CAS Numbers: 121-14-2 , [121-14-2]

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) 2.23 6.55 -9.36 0 6 0 92 182.135 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 71 TCI
UniProt Database Links HPA3_YEAST; NT5C_HUMAN; NT5C_MOUSE; NT5M_HUMAN; NT5M_MOUSE; RYK2_DROME; TOXA_PASMD ChEBI
Patent Database Links US2008050795 ChEBI

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