CID 10626944

C21H30InN6O6 — CID 10626944

IUPAC—
SMILESNCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[In]
InChIInChI=1S/3C7H10N2O2.In/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;
InChIKeyHPFGQCYEWRECCD-UHFFFAOYSA-N
MW577.33 g/mol
LogP-1.84
Rot. Bonds6

About CID 10626944

CID 10626944 (PubChem CID 10626944) has the molecular formula C21H30InN6O6 and a molecular weight of 577.33 g/mol.

Molecular Properties

Compound NameCID 10626944
PubChem CID10626944
Molecular FormulaC21H30InN6O6
Molecular Weight577.33 g/mol
Exact Mass577.13
IUPAC Name—
SMILESNCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[In]
InChIInChI=1S/3C7H10N2O2.In/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;
InChIKeyHPFGQCYEWRECCD-UHFFFAOYSA-N
XLogP-1.84
TPSA204.75 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500577.33
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of CID 10626944?
The IUPAC name of CID 10626944 (CID 10626944) is not available.
What is the SMILES notation for CID 10626944?
The canonical SMILES for CID 10626944 is NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[In].
What is the InChIKey of CID 10626944?
The InChIKey is HPFGQCYEWRECCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H10N2O2.In/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;.
What are the key properties of CID 10626944?
CID 10626944 has a molecular weight of 577.33 g/mol, XLogP of -1.84, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10626944 is sourced from PubChem (CID 10626944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).