CID 11786959

C23H30BiCl2N2O — CID 11786959

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;;/h1-8H2;3-6H,1H3;3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyKETCOSFAEJPLRC-UHFFFAOYSA-L
MW630.39 g/mol
LogP4.70
Rot. Bonds3

About CID 11786959

CID 11786959 (PubChem CID 11786959) has the molecular formula C23H30BiCl2N2O and a molecular weight of 630.39 g/mol.

Molecular Properties

Compound NameCID 11786959
PubChem CID11786959
Molecular FormulaC23H30BiCl2N2O
Molecular Weight630.39 g/mol
Exact Mass629.15
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;;/h1-8H2;3-6H,1H3;3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyKETCOSFAEJPLRC-UHFFFAOYSA-L
XLogP4.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11786959?
The IUPAC name of CID 11786959 (CID 11786959) is not available.
What is the SMILES notation for CID 11786959?
The canonical SMILES for CID 11786959 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of CID 11786959?
The InChIKey is KETCOSFAEJPLRC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.C7H7O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;;/h1-8H2;3-6H,1H3;3-6H,1H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11786959?
CID 11786959 has a molecular weight of 630.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11786959 is sourced from PubChem (CID 11786959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).