HBD

4-HYDROXYBENZAMIDE

Created:	1999-07-08
Last modified:	2011-06-04

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8 entries where HBD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of HBD

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Chemical Component Summary
Name	4-HYDROXYBENZAMIDE
Systematic Name (OpenEye OEToolkits)	4-hydroxybenzamide
Formula	C₇ H₇ N O₂
Molecular Weight	137.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc(O)cc1)N
SMILES	CACTVS	3.341	NC(=O)c1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)N)O
Canonical SMILES	CACTVS	3.341	NC(=O)c1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)N)O
InChI	InChI	1.03	InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey	InChI	1.03	QXSAKPUBHTZHKW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	65052
ChEMBL	CHEMBL123617
CCDC/CSD	EXAPID01, PAHHAK, JIXCOI01, UFEVUZ, LIDPUM01, GESBEN, PAHHEO, GESCUE, QEDVUS, JIXCOI, LIDMOD, GESBAJ, YEVMIY, VIDMAX, GESCIS, VIGGEY, KIJSIH01, VIGGIC, GESBUD, JIXCOI02, GERZUA, FOTCUO, GESCEO, FOTDEZ, LIDNOE, GESCOY, GESBIR, VIVZUV, VIDMAX02, SOGSEP, GESCAK, FOTDID, LIDPUM, OCUHEC, LIDNEU, FOTDAV, GESBIR01, KIJSIH, LIDNUK, YECWUC
COD	4507099, 2236204, 2213604, 4507098, 4507100, 4507093

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.