CID 70569018

C10H14NO3Sn — CID 70569018

IUPAC—
SMILESCO[Sn](CNC(=O)c1ccccc1)OC
InChIInChI=1S/C8H8NO.2CH3O.Sn/c1-9-8(10)7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2,(H,9,10);2*1H3;/q;2*-1;+2
InChIKeyIGGJXTWWCVXONL-UHFFFAOYSA-N
MW314.94 g/mol
LogP0.74
Rot. Bonds5

About CID 70569018

CID 70569018 (PubChem CID 70569018) has the molecular formula C10H14NO3Sn and a molecular weight of 314.94 g/mol.

Molecular Properties

Compound NameCID 70569018
PubChem CID70569018
Molecular FormulaC10H14NO3Sn
Molecular Weight314.94 g/mol
Exact Mass316.00
IUPAC Name—
SMILESCO[Sn](CNC(=O)c1ccccc1)OC
InChIInChI=1S/C8H8NO.2CH3O.Sn/c1-9-8(10)7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2,(H,9,10);2*1H3;/q;2*-1;+2
InChIKeyIGGJXTWWCVXONL-UHFFFAOYSA-N
XLogP0.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 70569018?
The IUPAC name of CID 70569018 (CID 70569018) is not available.
What is the SMILES notation for CID 70569018?
The canonical SMILES for CID 70569018 is CO[Sn](CNC(=O)c1ccccc1)OC.
What is the InChIKey of CID 70569018?
The InChIKey is IGGJXTWWCVXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.2CH3O.Sn/c1-9-8(10)7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2,(H,9,10);2*1H3;/q;2*-1;+2.
What are the key properties of CID 70569018?
CID 70569018 has a molecular weight of 314.94 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70569018 is sourced from PubChem (CID 70569018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).