CID 168730973

C19H13AlNO2 — CID 168730973

IUPAC—
SMILESc1ccc([Al]Oc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H9NO2.C6H5.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-4-6-5-3-1;/h1-8,15H;1-5H;/q;;+1/p-1
InChIKeyDIVOAGCTEGKSFM-UHFFFAOYSA-M
MW314.30 g/mol
LogP3.82
Rot. Bonds4

About CID 168730973

CID 168730973 (PubChem CID 168730973) has the molecular formula C19H13AlNO2 and a molecular weight of 314.30 g/mol.

Molecular Properties

Compound NameCID 168730973
PubChem CID168730973
Molecular FormulaC19H13AlNO2
Molecular Weight314.30 g/mol
Exact Mass314.08
IUPAC Name—
SMILESc1ccc([Al]Oc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H9NO2.C6H5.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-4-6-5-3-1;/h1-8,15H;1-5H;/q;;+1/p-1
InChIKeyDIVOAGCTEGKSFM-UHFFFAOYSA-M
XLogP3.82
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 168730973?
The IUPAC name of CID 168730973 (CID 168730973) is not available.
What is the SMILES notation for CID 168730973?
The canonical SMILES for CID 168730973 is c1ccc([Al]Oc2ccccc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of CID 168730973?
The InChIKey is DIVOAGCTEGKSFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9NO2.C6H5.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-4-6-5-3-1;/h1-8,15H;1-5H;/q;;+1/p-1.
What are the key properties of CID 168730973?
CID 168730973 has a molecular weight of 314.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168730973 is sourced from PubChem (CID 168730973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).