CID 11405228

C21H23FeN+2 — CID 11405228

IUPAC—
SMILESC[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1ccccc1.[Fe+2]
InChIInChI=1S/C21H23N.Fe/c1-17(19-11-3-2-4-12-19)22-21(20-13-7-8-14-20)16-15-18-9-5-6-10-18;/h2-14,17,21-22H,15-16H2,1H3;/q;+2/t17-,21+;/m0./s1
InChIKeyJKNCHYNTTSNRMM-CQVJSGDESA-N
MW345.27 g/mol
LogP4.29
Rot. Bonds7

About CID 11405228

CID 11405228 (PubChem CID 11405228) has the molecular formula C21H23FeN+2 and a molecular weight of 345.27 g/mol.

Molecular Properties

Compound NameCID 11405228
PubChem CID11405228
Molecular FormulaC21H23FeN+2
Molecular Weight345.27 g/mol
Exact Mass345.12
IUPAC Name—
SMILESC[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1ccccc1.[Fe+2]
InChIInChI=1S/C21H23N.Fe/c1-17(19-11-3-2-4-12-19)22-21(20-13-7-8-14-20)16-15-18-9-5-6-10-18;/h2-14,17,21-22H,15-16H2,1H3;/q;+2/t17-,21+;/m0./s1
InChIKeyJKNCHYNTTSNRMM-CQVJSGDESA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11405228?
The IUPAC name of CID 11405228 (CID 11405228) is not available.
What is the SMILES notation for CID 11405228?
The canonical SMILES for CID 11405228 is C[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1ccccc1.[Fe+2].
What is the InChIKey of CID 11405228?
The InChIKey is JKNCHYNTTSNRMM-CQVJSGDESA-N. The full InChI is InChI=1S/C21H23N.Fe/c1-17(19-11-3-2-4-12-19)22-21(20-13-7-8-14-20)16-15-18-9-5-6-10-18;/h2-14,17,21-22H,15-16H2,1H3;/q;+2/t17-,21+;/m0./s1.
What are the key properties of CID 11405228?
CID 11405228 has a molecular weight of 345.27 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11405228 is sourced from PubChem (CID 11405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).