CID 24798849

C17H15ClFe+2 — CID 24798849

IUPAC—
SMILESClc1cccc(C[C]2[CH][CH][CH][CH]2)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H10Cl.C5H5.Fe/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;1-2-4-5-3-1;/h1-7,9H,8H2;1-5H;/q;;+2
InChIKeyFSSNKZCSELGWED-UHFFFAOYSA-N
MW310.61 g/mol
LogP4.31
Rot. Bonds2

About CID 24798849

CID 24798849 (PubChem CID 24798849) has the molecular formula C17H15ClFe+2 and a molecular weight of 310.61 g/mol.

Molecular Properties

Compound NameCID 24798849
PubChem CID24798849
Molecular FormulaC17H15ClFe+2
Molecular Weight310.61 g/mol
Exact Mass310.02
IUPAC Name—
SMILESClc1cccc(C[C]2[CH][CH][CH][CH]2)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H10Cl.C5H5.Fe/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;1-2-4-5-3-1;/h1-7,9H,8H2;1-5H;/q;;+2
InChIKeyFSSNKZCSELGWED-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 24798849 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271
[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
CID 6947758
[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
(3-chlorophenyl)methyl-trifluoroboranuide
CID 63704872
lithium (3-chlorophenyl)methylazanide
CID 142040890
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
2-[(3-chlorophenyl)methyl]-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 62503900
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
CID 11133415
CID 11133415
2-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55083746

Frequently Asked Questions

What is the IUPAC name of CID 24798849?
The IUPAC name of CID 24798849 (CID 24798849) is not available.
What is the SMILES notation for CID 24798849?
The canonical SMILES for CID 24798849 is Clc1cccc(C[C]2[CH][CH][CH][CH]2)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 24798849?
The InChIKey is FSSNKZCSELGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl.C5H5.Fe/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;1-2-4-5-3-1;/h1-7,9H,8H2;1-5H;/q;;+2.
What are the key properties of CID 24798849?
CID 24798849 has a molecular weight of 310.61 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24798849 is sourced from PubChem (CID 24798849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).