CID 155758728

C18H15N2O2Se — CID 155758728

IUPAC—
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)N=C2[Se])cc1
InChIInChI=1S/C18H15N2O2Se/c1-12-3-5-13(6-4-12)11-16-17(21)20(18(23)19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3/b16-11-
InChIKeyPYYSDNYCNPEDGV-WJDWOHSUSA-N
MW370.29 g/mol
LogP2.92
Rot. Bonds3

About CID 155758728

CID 155758728 (PubChem CID 155758728) has the molecular formula C18H15N2O2Se and a molecular weight of 370.29 g/mol.

Molecular Properties

Compound NameCID 155758728
PubChem CID155758728
Molecular FormulaC18H15N2O2Se
Molecular Weight370.29 g/mol
Exact Mass371.03
IUPAC Name—
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)N=C2[Se])cc1
InChIInChI=1S/C18H15N2O2Se/c1-12-3-5-13(6-4-12)11-16-17(21)20(18(23)19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3/b16-11-
InChIKeyPYYSDNYCNPEDGV-WJDWOHSUSA-N
XLogP2.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155758728?
The IUPAC name of CID 155758728 (CID 155758728) is not available.
What is the SMILES notation for CID 155758728?
The canonical SMILES for CID 155758728 is COc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)N=C2[Se])cc1.
What is the InChIKey of CID 155758728?
The InChIKey is PYYSDNYCNPEDGV-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15N2O2Se/c1-12-3-5-13(6-4-12)11-16-17(21)20(18(23)19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3/b16-11-.
What are the key properties of CID 155758728?
CID 155758728 has a molecular weight of 370.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155758728 is sourced from PubChem (CID 155758728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).