C11H8Cl2N2O — CID 77413405

IUPAC—
SMILESCc1c(Cl)cc(C2C=CC(=O)N=N2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5,10H,1H3
InChIKeyASSPVDLCRPJOLZ-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.89
Rot. Bonds1

About

(PubChem CID 77413405) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol.

Molecular Properties

Compound Name
PubChem CID77413405
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name—
SMILESCc1c(Cl)cc(C2C=CC(=O)N=N2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5,10H,1H3
InChIKeyASSPVDLCRPJOLZ-UHFFFAOYSA-N
XLogP3.89
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 ?
The IUPAC name of (CID 77413405) is not available.
What is the SMILES notation for ?
The canonical SMILES for is Cc1c(Cl)cc(C2C=CC(=O)N=N2)cc1Cl.
What is the InChIKey of ?
The InChIKey is ASSPVDLCRPJOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5,10H,1H3.
What are the key properties of ?
has a molecular weight of 255.10 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 77413405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).