CID 70387554

C7H6NOSn — CID 70387554

IUPAC—
SMILESO=C(N[Sn])c1ccccc1
InChIInChI=1S/C7H7NO.Sn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H2,8,9);/q;+1/p-1
InChIKeyFHBVSNIPBYXBTB-UHFFFAOYSA-M
MW238.84 g/mol
LogP0.50
Rot. Bonds1

About CID 70387554

CID 70387554 (PubChem CID 70387554) has the molecular formula C7H6NOSn and a molecular weight of 238.84 g/mol.

Molecular Properties

Compound NameCID 70387554
PubChem CID70387554
Molecular FormulaC7H6NOSn
Molecular Weight238.84 g/mol
Exact Mass239.95
IUPAC Name—
SMILESO=C(N[Sn])c1ccccc1
InChIInChI=1S/C7H7NO.Sn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H2,8,9);/q;+1/p-1
InChIKeyFHBVSNIPBYXBTB-UHFFFAOYSA-M
XLogP0.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.84
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methylbenzamide;molecular hydrogen
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N'-oxidobenzohydrazide
CID 174971627

Frequently Asked Questions

What is the IUPAC name of CID 70387554?
The IUPAC name of CID 70387554 (CID 70387554) is not available.
What is the SMILES notation for CID 70387554?
The canonical SMILES for CID 70387554 is O=C(N[Sn])c1ccccc1.
What is the InChIKey of CID 70387554?
The InChIKey is FHBVSNIPBYXBTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO.Sn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H2,8,9);/q;+1/p-1.
What are the key properties of CID 70387554?
CID 70387554 has a molecular weight of 238.84 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70387554 is sourced from PubChem (CID 70387554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).