CID 11812099

C19H25FeNO2Se+2 — CID 11812099

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se]CC1CCC(=O)O1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H20NO2Se.C5H5.Fe/c1-10(15(2)3)12-5-4-6-13(12)18-9-11-7-8-14(16)17-11;1-2-4-5-3-1;/h4-6,10-11H,7-9H2,1-3H3;1-5H;/q;;+2/t10-,11?;;/m0../s1
InChIKeyDALLFANTJVJDMW-KXQUXSGXSA-N
MW434.22 g/mol
LogP2.52
Rot. Bonds5

About CID 11812099

CID 11812099 (PubChem CID 11812099) has the molecular formula C19H25FeNO2Se+2 and a molecular weight of 434.22 g/mol.

Molecular Properties

Compound NameCID 11812099
PubChem CID11812099
Molecular FormulaC19H25FeNO2Se+2
Molecular Weight434.22 g/mol
Exact Mass435.04
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[Se]CC1CCC(=O)O1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H20NO2Se.C5H5.Fe/c1-10(15(2)3)12-5-4-6-13(12)18-9-11-7-8-14(16)17-11;1-2-4-5-3-1;/h4-6,10-11H,7-9H2,1-3H3;1-5H;/q;;+2/t10-,11?;;/m0../s1
InChIKeyDALLFANTJVJDMW-KXQUXSGXSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11812099?
The IUPAC name of CID 11812099 (CID 11812099) is not available.
What is the SMILES notation for CID 11812099?
The canonical SMILES for CID 11812099 is C[C@@H]([C]1[CH][CH][CH][C]1[Se]CC1CCC(=O)O1)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11812099?
The InChIKey is DALLFANTJVJDMW-KXQUXSGXSA-N. The full InChI is InChI=1S/C14H20NO2Se.C5H5.Fe/c1-10(15(2)3)12-5-4-6-13(12)18-9-11-7-8-14(16)17-11;1-2-4-5-3-1;/h4-6,10-11H,7-9H2,1-3H3;1-5H;/q;;+2/t10-,11?;;/m0../s1.
What are the key properties of CID 11812099?
CID 11812099 has a molecular weight of 434.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11812099 is sourced from PubChem (CID 11812099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).