benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))

C10H22MoN4O5-6 — CID 66556656

IUPACbenzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))
SMILESNCCN.NCCN.Oc1ccccc1O.[Mo].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H6O2.2C2H8N2.Mo.3O/c7-5-3-1-2-4-6(5)8;2*3-1-2-4;;;;/h1-4,7-8H;2*1-4H2;;;;/q;;;;3*-2
InChIKeyNBWXDFRCAKLMKM-UHFFFAOYSA-N
MW374.25 g/mol
LogP-1.45
Rot. Bonds2

About benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))

benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)) (PubChem CID 66556656) has the molecular formula C10H22MoN4O5-6 and a molecular weight of 374.25 g/mol. Its IUPAC name is benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)).

Molecular Properties

Compound Namebenzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))
PubChem CID66556656
Molecular FormulaC10H22MoN4O5-6
Molecular Weight374.25 g/mol
Exact Mass376.07
IUPAC Namebenzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))
SMILESNCCN.NCCN.Oc1ccccc1O.[Mo].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H6O2.2C2H8N2.Mo.3O/c7-5-3-1-2-4-6(5)8;2*3-1-2-4;;;;/h1-4,7-8H;2*1-4H2;;;;/q;;;;3*-2
InChIKeyNBWXDFRCAKLMKM-UHFFFAOYSA-N
XLogP-1.45
TPSA230.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))?
The IUPAC name of benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)) (CID 66556656) is benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)).
What is the SMILES notation for benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))?
The canonical SMILES for benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)) is NCCN.NCCN.Oc1ccccc1O.[Mo].[O-2].[O-2].[O-2].
What is the InChIKey of benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))?
The InChIKey is NBWXDFRCAKLMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2C2H8N2.Mo.3O/c7-5-3-1-2-4-6(5)8;2*3-1-2-4;;;;/h1-4,7-8H;2*1-4H2;;;;/q;;;;3*-2.
What are the key properties of benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-))?
benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)) has a molecular weight of 374.25 g/mol, XLogP of -1.45, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;bis(ethane-1,2-diamine);molybdenum;tris(oxygen(2-)) is sourced from PubChem (CID 66556656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).