2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane

C244H523N35O13 — CID 158613664

About 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane

2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane (PubChem CID 158613664) has the molecular formula C244H523N35O13 and a molecular weight of 4156.10 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane
• PubChem CID: 158613664
• Molecular Formula: C244H523N35O13
• Molecular Weight: 4156.10 g/mol
• Exact Mass: 4153.13
• IUPAC Name: 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane
• SMILES: C1CC2(C1)CCNC2.C1CC2(C1)CCNCC2.C1CC2(CCN1)CCN2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCO2.C1CC2(CCN1)COC2.C1CC2(CCNC2)CN1.C1CC2(CCO2)CN1.C1CC2(CCOC2)CN1.C1CC2(CCOCC2)CN1.C1CC2(CN1)COC2.C1CC2(CN1)COC2.C1CC2(CN1)COCCN2.C1CCC2(C1)CCCN2.C1CCC2(C1)CCNC2.C1CCC2(CC1)CCNC2.C1CCC2(CCNC2)NC1.C1CCC2(CCNC2)OC1.C1CNC2(C1)CCNC2.C1CNC2(C1)CCOC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCNC2.C1COC2(C1)CCNC2.C1COC2(CCNC2)CN1.C1COCC2(C1)CCNC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/C9H17N.4C8H16N2.3C8H15NO.4C8H15N.2C7H14N2O.3C7H14N2.5C7H13NO.C7H13N.3C6H11NO.26C2H6/c1-2-4-9(5-3-1)6-7-10-8-9;2*1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(6-9-4-1)3-5-10-7-8;1-2-5-10-8(3-1)4-6-9-7-8;1-4-9-7-8(1)2-5-10-6-3-8;1-2-8(7-10-5-1)3-4-9-6-8;1-2-6-10-8(3-1)4-5-9-7-8;1-3-8(4-1)5-2-6-9-7-8;1-2-5-8(4-1)6-3-7-9-8;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8(3-1)5-6-9-7-8;1-2-8-5-7(1)6-10-4-3-9-7;1-2-8-5-7(1)6-9-3-4-10-7;1-4-8-5-2-7(1)3-6-9-7;1-3-8-5-7(1)2-4-9-6-7;1-2-7(9-4-1)3-5-8-6-7;1-4-8-5-2-7(1)3-6-9-7;1-3-8-5-7(1)2-4-9-6-7;1-3-8-4-2-7(1)5-9-6-7;1-2-7(9-5-1)3-4-8-6-7;1-2-7(8-4-1)3-5-9-6-7;1-2-7(3-1)4-5-8-6-7;1-3-7-5-6(1)2-4-8-6;2*1-2-7-3-6(1)4-8-5-6;26*1-2/h10H,1-8H2;4*9-10H,1-7H2;3*9H,1-7H2;4*9H,1-7H2;2*8-9H,1-6H2;3*8-9H,1-6H2;5*8H,1-6H2;8H,1-6H2;3*7H,1-5H2;26*1-2H3
• InChIKey: HXDHYCAYUHHXLV-UHFFFAOYSA-N
• XLogP: 41.41
• TPSA: 541.04 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 48
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4156.10
LogP ≤ 5	41.41
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane?

The IUPAC name of 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane (CID 158613664) is 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane.

What is the SMILES notation for 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane?

The canonical SMILES for 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane is C1CC2(C1)CCNC2.C1CC2(C1)CCNCC2.C1CC2(CCN1)CCN2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCO2.C1CC2(CCN1)COC2.C1CC2(CCNC2)CN1.C1CC2(CCO2)CN1.C1CC2(CCOC2)CN1.C1CC2(CCOCC2)CN1.C1CC2(CN1)COC2.C1CC2(CN1)COC2.C1CC2(CN1)COCCN2.C1CCC2(C1)CCCN2.C1CCC2(C1)CCNC2.C1CCC2(CC1)CCNC2.C1CCC2(CCNC2)NC1.C1CCC2(CCNC2)OC1.C1CNC2(C1)CCNC2.C1CNC2(C1)CCOC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCNC2.C1COC2(C1)CCNC2.C1COC2(CCNC2)CN1.C1COCC2(C1)CCNC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane?

The InChIKey is HXDHYCAYUHHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.4C8H16N2.3C8H15NO.4C8H15N.2C7H14N2O.3C7H14N2.5C7H13NO.C7H13N.3C6H11NO.26C2H6/c1-2-4-9(5-3-1)6-7-10-8-9;2*1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(6-9-4-1)3-5-10-7-8;1-2-5-10-8(3-1)4-6-9-7-8;1-4-9-7-8(1)2-5-10-6-3-8;1-2-8(7-10-5-1)3-4-9-6-8;1-2-6-10-8(3-1)4-5-9-7-8;1-3-8(4-1)5-2-6-9-7-8;1-2-5-8(4-1)6-3-7-9-8;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8(3-1)5-6-9-7-8;1-2-8-5-7(1)6-10-4-3-9-7;1-2-8-5-7(1)6-9-3-4-10-7;1-4-8-5-2-7(1)3-6-9-7;1-3-8-5-7(1)2-4-9-6-7;1-2-7(9-4-1)3-5-8-6-7;1-4-8-5-2-7(1)3-6-9-7;1-3-8-5-7(1)2-4-9-6-7;1-3-8-4-2-7(1)5-9-6-7;1-2-7(9-5-1)3-4-8-6-7;1-2-7(8-4-1)3-5-9-6-7;1-2-7(3-1)4-5-8-6-7;1-3-7-5-6(1)2-4-8-6;2*1-2-7-3-6(1)4-8-5-6;26*1-2/h10H,1-8H2;4*9-10H,1-7H2;3*9H,1-7H2;4*9H,1-7H2;2*8-9H,1-6H2;3*8-9H,1-6H2;5*8H,1-6H2;8H,1-6H2;3*7H,1-5H2;26*1-2H3.

What are the key properties of 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane?

2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane has a molecular weight of 4156.10 g/mol, XLogP of 41.41, 0 rotatable bonds, 35 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[4.5]decane;1-azaspiro[4.4]nonane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;6-azaspiro[3.4]octane;2,6-diazaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);2,9-diazaspiro[4.5]decane;1,7-diazaspiro[3.5]nonane;1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;ethane;6-oxa-2-azaspiro[4.5]decane;7-oxa-2-azaspiro[4.5]decane;8-oxa-2-azaspiro[4.5]decane;1-oxa-7-azaspiro[3.5]nonane;1-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[3.5]nonane;2-oxa-7-azaspiro[4.4]nonane;7-oxa-1-azaspiro[4.4]nonane;1-oxa-7-azaspiro[3.4]octane;bis(2-oxa-7-azaspiro[3.4]octane);6-oxa-2,9-diazaspiro[4.5]decane;9-oxa-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 158613664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).