CID 163877038

C11H13OSe — CID 163877038

IUPAC—
SMILESCCC(Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C11H13OSe/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyZRMKCJPSTVSWHX-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.95
Rot. Bonds4

About CID 163877038

CID 163877038 (PubChem CID 163877038) has the molecular formula C11H13OSe and a molecular weight of 240.18 g/mol.

Molecular Properties

Compound NameCID 163877038
PubChem CID163877038
Molecular FormulaC11H13OSe
Molecular Weight240.18 g/mol
Exact Mass241.01
IUPAC Name—
SMILESCCC(Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C11H13OSe/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyZRMKCJPSTVSWHX-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 167593912
2-benzyl-4-propoxybutanoic acid
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4-ethyl-1-phenylhexan-3-one
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Frequently Asked Questions

What is the IUPAC name of CID 163877038?
The IUPAC name of CID 163877038 (CID 163877038) is not available.
What is the SMILES notation for CID 163877038?
The canonical SMILES for CID 163877038 is CCC(Cc1ccccc1)C(=O)[Se].
What is the InChIKey of CID 163877038?
The InChIKey is ZRMKCJPSTVSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OSe/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of CID 163877038?
CID 163877038 has a molecular weight of 240.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163877038 is sourced from PubChem (CID 163877038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).