UCSF

ZINC06096162

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 19 Yes

Popular Name: 3-Phenylpropyl salicylate; 3-Phenylpropylsalicylate; BRN 2120148; Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester; EINECS 246-458-7; LS-144397; Propanol, 3-phenyl-, salicylate; S 22; Salicylic acid, 3-phenylpropyl ester 3-Phenylpropyl salicylate; 3-Phe…

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CAS Number: 24781-13-3

Other Names:

MFCD01684404

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) 4.45 1.28 -8.64 1 3 0 46 256.301 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010061A1; US4455298 IBM Patent Data

Activity (Go SEA)

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