CID 70016201

C9H7AlNO2 — CID 70016201

IUPAC—
SMILESO=[Al].Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.Al.O/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;
InChIKeySVKDARHROHAZAH-UHFFFAOYSA-N
MW188.14 g/mol
LogP1.44
Rot. Bonds

About CID 70016201

CID 70016201 (PubChem CID 70016201) has the molecular formula C9H7AlNO2 and a molecular weight of 188.14 g/mol.

Molecular Properties

Compound NameCID 70016201
PubChem CID70016201
Molecular FormulaC9H7AlNO2
Molecular Weight188.14 g/mol
Exact Mass188.03
IUPAC Name—
SMILESO=[Al].Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.Al.O/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;
InChIKeySVKDARHROHAZAH-UHFFFAOYSA-N
XLogP1.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 70016201?
The IUPAC name of CID 70016201 (CID 70016201) is not available.
What is the SMILES notation for CID 70016201?
The canonical SMILES for CID 70016201 is O=[Al].Oc1cccc2cccnc12.
What is the InChIKey of CID 70016201?
The InChIKey is SVKDARHROHAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.Al.O/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;.
What are the key properties of CID 70016201?
CID 70016201 has a molecular weight of 188.14 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70016201 is sourced from PubChem (CID 70016201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).