CID 59376402

C11H9Cl2NO — CID 59376402

IUPAC—
SMILES[CH]CC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H9Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h1,3-5,7H,2,6H2
InChIKeyFDJWPCPKQHWVFE-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.59
Rot. Bonds2

About CID 59376402

CID 59376402 (PubChem CID 59376402) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol.

Molecular Properties

Compound NameCID 59376402
PubChem CID59376402
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name—
SMILES[CH]CC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H9Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h1,3-5,7H,2,6H2
InChIKeyFDJWPCPKQHWVFE-UHFFFAOYSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59376402?
The IUPAC name of CID 59376402 (CID 59376402) is not available.
What is the SMILES notation for CID 59376402?
The canonical SMILES for CID 59376402 is [CH]CC1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of CID 59376402?
The InChIKey is FDJWPCPKQHWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h1,3-5,7H,2,6H2.
What are the key properties of CID 59376402?
CID 59376402 has a molecular weight of 242.10 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59376402 is sourced from PubChem (CID 59376402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).