UCSF

ZINC35286419

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 15 Yes

Popular Name: 2-{[1-(5-chlorothiophen-2-yl)ethyl]amino}-N,N-dimethylacetamide 2-{[1-(5-chlorothiophen-2-yl)eth…

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CAS Number: 1155046-97-1

Other Names:

MFCD12170333

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) 1.67 5.14 -44.53 2 3 1 37 247.771 4 ↓
Mid Mid (pH 6-8) 1.67 3.94 -9.74 1 3 0 32 246.763 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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