1,1,2,3,4,4,5,6,7,8-decachloronaphthalene

C10Cl10 — CID 12857317

IUPAC1,1,2,3,4,4,5,6,7,8-decachloronaphthalene
SMILESClC1=C(Cl)C(Cl)(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1(Cl)Cl
InChIInChI=1S/C10Cl10/c11-3-1-2(4(12)6(14)5(3)13)10(19,20)8(16)7(15)9(1,17)18
InChIKeyWYCPCMTWSJGXLE-UHFFFAOYSA-N
MW474.64 g/mol
LogP8.26
Rot. Bonds

About 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene

1,1,2,3,4,4,5,6,7,8-decachloronaphthalene (PubChem CID 12857317) has the molecular formula C10Cl10 and a molecular weight of 474.64 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,7,8-decachloronaphthalene
PubChem CID12857317
Molecular FormulaC10Cl10
Molecular Weight474.64 g/mol
Exact Mass469.69
IUPAC Name1,1,2,3,4,4,5,6,7,8-decachloronaphthalene
SMILESClC1=C(Cl)C(Cl)(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1(Cl)Cl
InChIInChI=1S/C10Cl10/c11-3-1-2(4(12)6(14)5(3)13)10(19,20)8(16)7(15)9(1,17)18
InChIKeyWYCPCMTWSJGXLE-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene?
The IUPAC name of 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene (CID 12857317) is 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene?
The canonical SMILES for 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene is ClC1=C(Cl)C(Cl)(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1(Cl)Cl.
What is the InChIKey of 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene?
The InChIKey is WYCPCMTWSJGXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl10/c11-3-1-2(4(12)6(14)5(3)13)10(19,20)8(16)7(15)9(1,17)18.
What are the key properties of 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene?
1,1,2,3,4,4,5,6,7,8-decachloronaphthalene has a molecular weight of 474.64 g/mol, XLogP of 8.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,7,8-decachloronaphthalene is sourced from PubChem (CID 12857317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).