CID 70460275

C12H9KNO — CID 70460275

IUPAC—
SMILESOc1ccc2c(c1)[nH]c1ccccc12.[K]
InChIInChI=1S/C12H9NO.K/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8;/h1-7,13-14H;
InChIKeyINIFHDAQZHOTHW-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.65
Rot. Bonds

About CID 70460275

CID 70460275 (PubChem CID 70460275) has the molecular formula C12H9KNO and a molecular weight of 222.31 g/mol.

Molecular Properties

Compound NameCID 70460275
PubChem CID70460275
Molecular FormulaC12H9KNO
Molecular Weight222.31 g/mol
Exact Mass222.03
IUPAC Name—
SMILESOc1ccc2c(c1)[nH]c1ccccc12.[K]
InChIInChI=1S/C12H9NO.K/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8;/h1-7,13-14H;
InChIKeyINIFHDAQZHOTHW-UHFFFAOYSA-N
XLogP2.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70460275?
The IUPAC name of CID 70460275 (CID 70460275) is not available.
What is the SMILES notation for CID 70460275?
The canonical SMILES for CID 70460275 is Oc1ccc2c(c1)[nH]c1ccccc12.[K].
What is the InChIKey of CID 70460275?
The InChIKey is INIFHDAQZHOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.K/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8;/h1-7,13-14H;.
What are the key properties of CID 70460275?
CID 70460275 has a molecular weight of 222.31 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70460275 is sourced from PubChem (CID 70460275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).