CID 155629314

C11H11N3O3Sn — CID 155629314

IUPAC—
SMILESCOc1ncc2c(C)c(C(C)=O)c(=O)[nH]c2n1.[Sn]
InChIInChI=1S/C11H11N3O3.Sn/c1-5-7-4-12-11(17-3)14-9(7)13-10(16)8(5)6(2)15;/h4H,1-3H3,(H,12,13,14,16);
InChIKeyMWNYAFFYTVFHAD-UHFFFAOYSA-N
MW351.94 g/mol
LogP0.46
Rot. Bonds2

About CID 155629314

CID 155629314 (PubChem CID 155629314) has the molecular formula C11H11N3O3Sn and a molecular weight of 351.94 g/mol.

Molecular Properties

Compound NameCID 155629314
PubChem CID155629314
Molecular FormulaC11H11N3O3Sn
Molecular Weight351.94 g/mol
Exact Mass352.98
IUPAC Name—
SMILESCOc1ncc2c(C)c(C(C)=O)c(=O)[nH]c2n1.[Sn]
InChIInChI=1S/C11H11N3O3.Sn/c1-5-7-4-12-11(17-3)14-9(7)13-10(16)8(5)6(2)15;/h4H,1-3H3,(H,12,13,14,16);
InChIKeyMWNYAFFYTVFHAD-UHFFFAOYSA-N
XLogP0.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 155629314?
The IUPAC name of CID 155629314 (CID 155629314) is not available.
What is the SMILES notation for CID 155629314?
The canonical SMILES for CID 155629314 is COc1ncc2c(C)c(C(C)=O)c(=O)[nH]c2n1.[Sn].
What is the InChIKey of CID 155629314?
The InChIKey is MWNYAFFYTVFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.Sn/c1-5-7-4-12-11(17-3)14-9(7)13-10(16)8(5)6(2)15;/h4H,1-3H3,(H,12,13,14,16);.
What are the key properties of CID 155629314?
CID 155629314 has a molecular weight of 351.94 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629314 is sourced from PubChem (CID 155629314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).