UCSF

ZINC00402756

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 1-benzyl-1H-indole-3-carboxylic acid 1-benzyl-1H-indole-3-carboxylic …

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CAS Numbers: 27018-76-4 , [27018-76-4]

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) 3.32 1.51 -59.87 0 3 -1 45 250.277 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 192 - 194 Enamine Building Blocks
MP 192...194 Enamine Building Blocks
melting_point 197 - 200 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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