CID 157282826

C11H11AlNO — CID 157282826

IUPAC—
SMILESCc1cc(O)c2nccc(C)c2c1.[Al]
InChIInChI=1S/C11H11NO.Al/c1-7-5-9-8(2)3-4-12-11(9)10(13)6-7;/h3-6,13H,1-2H3;
InChIKeyAZWFHUTZXZBXIN-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.18
Rot. Bonds

About CID 157282826

CID 157282826 (PubChem CID 157282826) has the molecular formula C11H11AlNO and a molecular weight of 200.20 g/mol.

Molecular Properties

Compound NameCID 157282826
PubChem CID157282826
Molecular FormulaC11H11AlNO
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name—
SMILESCc1cc(O)c2nccc(C)c2c1.[Al]
InChIInChI=1S/C11H11NO.Al/c1-7-5-9-8(2)3-4-12-11(9)10(13)6-7;/h3-6,13H,1-2H3;
InChIKeyAZWFHUTZXZBXIN-UHFFFAOYSA-N
XLogP2.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 157282826?
The IUPAC name of CID 157282826 (CID 157282826) is not available.
What is the SMILES notation for CID 157282826?
The canonical SMILES for CID 157282826 is Cc1cc(O)c2nccc(C)c2c1.[Al].
What is the InChIKey of CID 157282826?
The InChIKey is AZWFHUTZXZBXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.Al/c1-7-5-9-8(2)3-4-12-11(9)10(13)6-7;/h3-6,13H,1-2H3;.
What are the key properties of CID 157282826?
CID 157282826 has a molecular weight of 200.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157282826 is sourced from PubChem (CID 157282826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).