CID 155758715

C19H17N2O3Se — CID 155758715

IUPAC—
SMILESCCOc1ccc(/C=C2\N=C([Se])N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H17N2O3Se/c1-3-24-16-8-4-13(5-9-16)12-17-18(22)21(19(25)20-17)14-6-10-15(23-2)11-7-14/h4-12H,3H2,1-2H3/b17-12-
InChIKeyDVHLRHKPQSQJMC-ATVHPVEESA-N
MW400.32 g/mol
LogP3.01
Rot. Bonds5

About CID 155758715

CID 155758715 (PubChem CID 155758715) has the molecular formula C19H17N2O3Se and a molecular weight of 400.32 g/mol.

Molecular Properties

Compound NameCID 155758715
PubChem CID155758715
Molecular FormulaC19H17N2O3Se
Molecular Weight400.32 g/mol
Exact Mass401.04
IUPAC Name—
SMILESCCOc1ccc(/C=C2\N=C([Se])N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H17N2O3Se/c1-3-24-16-8-4-13(5-9-16)12-17-18(22)21(19(25)20-17)14-6-10-15(23-2)11-7-14/h4-12H,3H2,1-2H3/b17-12-
InChIKeyDVHLRHKPQSQJMC-ATVHPVEESA-N
XLogP3.01
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 155758715?
The IUPAC name of CID 155758715 (CID 155758715) is not available.
What is the SMILES notation for CID 155758715?
The canonical SMILES for CID 155758715 is CCOc1ccc(/C=C2\N=C([Se])N(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of CID 155758715?
The InChIKey is DVHLRHKPQSQJMC-ATVHPVEESA-N. The full InChI is InChI=1S/C19H17N2O3Se/c1-3-24-16-8-4-13(5-9-16)12-17-18(22)21(19(25)20-17)14-6-10-15(23-2)11-7-14/h4-12H,3H2,1-2H3/b17-12-.
What are the key properties of CID 155758715?
CID 155758715 has a molecular weight of 400.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155758715 is sourced from PubChem (CID 155758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).