UCSF

ZINC05194063

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 12 Yes

Popular Name: 1-(Allyl)-1H-indole 1-(Allyl)-1H-indole

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CAS Number: 16886-08-1

Other Names:

1- -1H-indole

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) 2.87 2.31 -5.04 0 1 0 4 157.216 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0966456A1; US5811452; WO1997033174A1 IBM Patent Data

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