CID 11970071

C8H11KN5O4 — CID 11970071

IUPAC—
SMILESC[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/t3-;/m0./s1
InChIKeyGOXGQJNGOFKUOK-DFWYDOINSA-N
MW280.31 g/mol
LogP-0.74
Rot. Bonds4

About CID 11970071

CID 11970071 (PubChem CID 11970071) has the molecular formula C8H11KN5O4 and a molecular weight of 280.31 g/mol.

Molecular Properties

Compound NameCID 11970071
PubChem CID11970071
Molecular FormulaC8H11KN5O4
Molecular Weight280.31 g/mol
Exact Mass280.04
IUPAC Name—
SMILESC[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/t3-;/m0./s1
InChIKeyGOXGQJNGOFKUOK-DFWYDOINSA-N
XLogP-0.74
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 11970071?
The IUPAC name of CID 11970071 (CID 11970071) is not available.
What is the SMILES notation for CID 11970071?
The canonical SMILES for CID 11970071 is C[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K].
What is the InChIKey of CID 11970071?
The InChIKey is GOXGQJNGOFKUOK-DFWYDOINSA-N. The full InChI is InChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/t3-;/m0./s1.
What are the key properties of CID 11970071?
CID 11970071 has a molecular weight of 280.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11970071 is sourced from PubChem (CID 11970071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).