KEGG   DRUG: Phenolate sodiumHelp
Entry
D05455                      Drug                                   

Name
Phenolate sodium (USAN)
Formula
C6H5O. Na
Exact mass
116.0238
Mol weight
116.0931
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Disinfectant
Other DBs
CAS: 139-02-6
PubChem: 47207124
ChEBI: 52476
ChEMBL: CHEMBL2107497
LigandBox: D05455
NIKKAJI: J5.639A
LinkDB All DBs
KCF data Show

ATOM        8
            1   C8y C    24.5637  -18.4566
            2   C8x C    23.3622  -19.1533
            3   C8x C    25.7843  -19.1533
            4   O1a O    24.5637  -17.0698 #-
            5   C8x C    23.3622  -20.5592
            6   C8x C    25.7843  -20.5592
            7   C8x C    24.5637  -21.2686
            8   Z   Na   26.6700  -17.0800 #+
BOND        7
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     6   7 1

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