CID 134853755

C8H14GaNO3 — CID 134853755

IUPAC—
SMILESCC1(C)O[C@H]2[C@H]([C@@H](O)[Ga])NC[C@H]2O1
InChIInChI=1S/C8H14NO3.Ga/c1-8(2)11-6-3-9-5(4-10)7(6)12-8;/h4-7,9-10H,3H2,1-2H3;/t5-,6+,7-;/m0./s1
InChIKeyCAJFFWSUDYUFSC-UHRUZOLSSA-N
MW241.93 g/mol
LogP-1.03
Rot. Bonds1

About CID 134853755

CID 134853755 (PubChem CID 134853755) has the molecular formula C8H14GaNO3 and a molecular weight of 241.93 g/mol.

Molecular Properties

Compound NameCID 134853755
PubChem CID134853755
Molecular FormulaC8H14GaNO3
Molecular Weight241.93 g/mol
Exact Mass241.02
IUPAC Name—
SMILESCC1(C)O[C@H]2[C@H]([C@@H](O)[Ga])NC[C@H]2O1
InChIInChI=1S/C8H14NO3.Ga/c1-8(2)11-6-3-9-5(4-10)7(6)12-8;/h4-7,9-10H,3H2,1-2H3;/t5-,6+,7-;/m0./s1
InChIKeyCAJFFWSUDYUFSC-UHRUZOLSSA-N
XLogP-1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134853755?
The IUPAC name of CID 134853755 (CID 134853755) is not available.
What is the SMILES notation for CID 134853755?
The canonical SMILES for CID 134853755 is CC1(C)O[C@H]2[C@H]([C@@H](O)[Ga])NC[C@H]2O1.
What is the InChIKey of CID 134853755?
The InChIKey is CAJFFWSUDYUFSC-UHRUZOLSSA-N. The full InChI is InChI=1S/C8H14NO3.Ga/c1-8(2)11-6-3-9-5(4-10)7(6)12-8;/h4-7,9-10H,3H2,1-2H3;/t5-,6+,7-;/m0./s1.
What are the key properties of CID 134853755?
CID 134853755 has a molecular weight of 241.93 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134853755 is sourced from PubChem (CID 134853755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).