CID 172853606

C15H10NaO3 — CID 172853606

IUPAC—
SMILESO=c1cc(-c2ccccc2)oc2cccc(O)c12.[Na]
InChIInChI=1S/C15H10O3.Na/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10;/h1-9,16H;
InChIKeyYKAVNTBYVLYDIN-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.78
Rot. Bonds1

About CID 172853606

CID 172853606 (PubChem CID 172853606) has the molecular formula C15H10NaO3 and a molecular weight of 261.23 g/mol.

Molecular Properties

Compound NameCID 172853606
PubChem CID172853606
Molecular FormulaC15H10NaO3
Molecular Weight261.23 g/mol
Exact Mass261.05
IUPAC Name—
SMILESO=c1cc(-c2ccccc2)oc2cccc(O)c12.[Na]
InChIInChI=1S/C15H10O3.Na/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10;/h1-9,16H;
InChIKeyYKAVNTBYVLYDIN-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.78
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 172853606?
The IUPAC name of CID 172853606 (CID 172853606) is not available.
What is the SMILES notation for CID 172853606?
The canonical SMILES for CID 172853606 is O=c1cc(-c2ccccc2)oc2cccc(O)c12.[Na].
What is the InChIKey of CID 172853606?
The InChIKey is YKAVNTBYVLYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3.Na/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10;/h1-9,16H;.
What are the key properties of CID 172853606?
CID 172853606 has a molecular weight of 261.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172853606 is sourced from PubChem (CID 172853606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).