CID 134993535

C11H14Br2 — CID 134993535

IUPAC—
SMILESBrC1(Br)C2(CC2)C12C1CCCCC12
InChIInChI=1S/C11H14Br2/c12-11(13)9(5-6-9)10(11)7-3-1-2-4-8(7)10/h7-8H,1-6H2
InChIKeyJWMNCANLPSZCRT-UHFFFAOYSA-N
MW306.04 g/mol
LogP4.07
Rot. Bonds

About CID 134993535

CID 134993535 (PubChem CID 134993535) has the molecular formula C11H14Br2 and a molecular weight of 306.04 g/mol.

Molecular Properties

Compound NameCID 134993535
PubChem CID134993535
Molecular FormulaC11H14Br2
Molecular Weight306.04 g/mol
Exact Mass303.95
IUPAC Name—
SMILESBrC1(Br)C2(CC2)C12C1CCCCC12
InChIInChI=1S/C11H14Br2/c12-11(13)9(5-6-9)10(11)7-3-1-2-4-8(7)10/h7-8H,1-6H2
InChIKeyJWMNCANLPSZCRT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134993535 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 CID 134993535?
The IUPAC name of CID 134993535 (CID 134993535) is not available.
What is the SMILES notation for CID 134993535?
The canonical SMILES for CID 134993535 is BrC1(Br)C2(CC2)C12C1CCCCC12.
What is the InChIKey of CID 134993535?
The InChIKey is JWMNCANLPSZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2/c12-11(13)9(5-6-9)10(11)7-3-1-2-4-8(7)10/h7-8H,1-6H2.
What are the key properties of CID 134993535?
CID 134993535 has a molecular weight of 306.04 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134993535 is sourced from PubChem (CID 134993535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).