UCSF

ZINC19867430

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 11 Yes

Popular Name: 4-(Ethylamino)benzonitrile 4-(Ethylamino)benzonitrile

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CAS Numbers: 4714-63-0 , [4714-63-0]

Other Names:

MFCD11135503

N/A

NA

OT-1963

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) 1.93 4.51 -6.02 1 2 0 36 146.193 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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