CID 102094064

C7H11ClOZn- — CID 102094064

IUPAC—
SMILESO=[C]C1CCCCC1.[Cl-].[Zn]
InChIInChI=1S/C7H11O.ClH.Zn/c8-6-7-4-2-1-3-5-7;;/h7H,1-5H2;1H;/p-1
InChIKeyWDOHTLZGDMJQNG-UHFFFAOYSA-M
MW212.01 g/mol
LogP-1.32
Rot. Bonds1

About CID 102094064

CID 102094064 (PubChem CID 102094064) has the molecular formula C7H11ClOZn- and a molecular weight of 212.01 g/mol.

Molecular Properties

Compound NameCID 102094064
PubChem CID102094064
Molecular FormulaC7H11ClOZn-
Molecular Weight212.01 g/mol
Exact Mass209.98
IUPAC Name—
SMILESO=[C]C1CCCCC1.[Cl-].[Zn]
InChIInChI=1S/C7H11O.ClH.Zn/c8-6-7-4-2-1-3-5-7;;/h7H,1-5H2;1H;/p-1
InChIKeyWDOHTLZGDMJQNG-UHFFFAOYSA-M
XLogP-1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 102094064 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

cyclohexylmethylidyneborane
CID 159011895
cyclooctanecarbonitrile
CID 13075060
cyclooctanecarbonitrile;methane
CID 173081929
bis(carbon dioxide);bis(cyclohexanol)
CID 159091312
cyclohexanecarbonitrile;hydrochloride
CID 141135021
prop-1-ynylcyclododecane
CID 141054951
1-cyclopentylsulfonyl-2-isocyanatoazepane
CID 105361219
1-cyclopropylsulfonyl-2-isocyanatoazepane
CID 64564256
2,14-diisocyanato-1,8-diazabicyclo[6.6.1]pentadecan-15-one
CID 21327585
lithium 2-cyclohexylethynolate
CID 23667969
cyclohexanecarbonitrile;fluoromethane
CID 143506107
2,2-dicyclohexylethenone
CID 87327719

Frequently Asked Questions

What is the IUPAC name of CID 102094064?
The IUPAC name of CID 102094064 (CID 102094064) is not available.
What is the SMILES notation for CID 102094064?
The canonical SMILES for CID 102094064 is O=[C]C1CCCCC1.[Cl-].[Zn].
What is the InChIKey of CID 102094064?
The InChIKey is WDOHTLZGDMJQNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11O.ClH.Zn/c8-6-7-4-2-1-3-5-7;;/h7H,1-5H2;1H;/p-1.
What are the key properties of CID 102094064?
CID 102094064 has a molecular weight of 212.01 g/mol, XLogP of -1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102094064 is sourced from PubChem (CID 102094064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).