CID 10470153

C15H12NOSe — CID 10470153

IUPAC—
SMILES[Se]C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H12NOSe/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1
InChIKeyNIFWAMBZZFOAFM-UONOGXRCSA-N
MW301.23 g/mol
LogP3.02
Rot. Bonds2

About CID 10470153

CID 10470153 (PubChem CID 10470153) has the molecular formula C15H12NOSe and a molecular weight of 301.23 g/mol.

Molecular Properties

Compound NameCID 10470153
PubChem CID10470153
Molecular FormulaC15H12NOSe
Molecular Weight301.23 g/mol
Exact Mass302.01
IUPAC Name—
SMILES[Se]C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H12NOSe/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1
InChIKeyNIFWAMBZZFOAFM-UONOGXRCSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10470153?
The IUPAC name of CID 10470153 (CID 10470153) is not available.
What is the SMILES notation for CID 10470153?
The canonical SMILES for CID 10470153 is [Se]C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of CID 10470153?
The InChIKey is NIFWAMBZZFOAFM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H12NOSe/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1.
What are the key properties of CID 10470153?
CID 10470153 has a molecular weight of 301.23 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10470153 is sourced from PubChem (CID 10470153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).