UCSF

ZINC00396985

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Popular Name: Ethyl 2-(4-cyanophenyl)propanoate Ethyl 2-(4-cyanophenyl)propanoate

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CAS Number: 118618-32-9

Other Names:

MFCD00019760

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) 2.27 4.17 -8.13 0 3 0 50 203.241 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5073574 IBM Patent Data

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