CID 23586184

C6H10AlNO2 — CID 23586184

IUPAC—
SMILESNc1cccc([Al])c1.O.O
InChIInChI=1S/C6H6N.Al.2H2O/c7-6-4-2-1-3-5-6;;;/h1-2,4-5H,7H2;;2*1H2
InChIKeyMBCHJZOVPUMEDT-UHFFFAOYSA-N
MW155.13 g/mol
LogP-1.59
Rot. Bonds

About CID 23586184

CID 23586184 (PubChem CID 23586184) has the molecular formula C6H10AlNO2 and a molecular weight of 155.13 g/mol.

Molecular Properties

Compound NameCID 23586184
PubChem CID23586184
Molecular FormulaC6H10AlNO2
Molecular Weight155.13 g/mol
Exact Mass155.05
IUPAC Name—
SMILESNc1cccc([Al])c1.O.O
InChIInChI=1S/C6H6N.Al.2H2O/c7-6-4-2-1-3-5-6;;;/h1-2,4-5H,7H2;;2*1H2
InChIKeyMBCHJZOVPUMEDT-UHFFFAOYSA-N
XLogP-1.59
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23586184?
The IUPAC name of CID 23586184 (CID 23586184) is not available.
What is the SMILES notation for CID 23586184?
The canonical SMILES for CID 23586184 is Nc1cccc([Al])c1.O.O.
What is the InChIKey of CID 23586184?
The InChIKey is MBCHJZOVPUMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Al.2H2O/c7-6-4-2-1-3-5-6;;;/h1-2,4-5H,7H2;;2*1H2.
What are the key properties of CID 23586184?
CID 23586184 has a molecular weight of 155.13 g/mol, XLogP of -1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23586184 is sourced from PubChem (CID 23586184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).