CID 173442082

C12H10O2Rb — CID 173442082

IUPAC—
SMILESO=C(O)Cc1ccc2ccccc2c1.[Rb]
InChIInChI=1S/C12H10O2.Rb/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);
InChIKeyQMKMABRPVUANIF-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.09
Rot. Bonds2

About CID 173442082

CID 173442082 (PubChem CID 173442082) has the molecular formula C12H10O2Rb and a molecular weight of 271.68 g/mol.

Molecular Properties

Compound NameCID 173442082
PubChem CID173442082
Molecular FormulaC12H10O2Rb
Molecular Weight271.68 g/mol
Exact Mass270.98
IUPAC Name—
SMILESO=C(O)Cc1ccc2ccccc2c1.[Rb]
InChIInChI=1S/C12H10O2.Rb/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);
InChIKeyQMKMABRPVUANIF-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162695032
CID 162695032
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Frequently Asked Questions

What is the IUPAC name of CID 173442082?
The IUPAC name of CID 173442082 (CID 173442082) is not available.
What is the SMILES notation for CID 173442082?
The canonical SMILES for CID 173442082 is O=C(O)Cc1ccc2ccccc2c1.[Rb].
What is the InChIKey of CID 173442082?
The InChIKey is QMKMABRPVUANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.Rb/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);.
What are the key properties of CID 173442082?
CID 173442082 has a molecular weight of 271.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173442082 is sourced from PubChem (CID 173442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).