CID 159796273

C15H16N3O3P — CID 159796273

IUPAC—
SMILESNP(N)(N)=O.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O2.H6N3OP/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-5(2,3)4/h1-10H;(H6,1,2,3,4)
InChIKeyNJFFOFXCIIBUGA-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.43
Rot. Bonds1

About CID 159796273

CID 159796273 (PubChem CID 159796273) has the molecular formula C15H16N3O3P and a molecular weight of 317.29 g/mol.

Molecular Properties

Compound NameCID 159796273
PubChem CID159796273
Molecular FormulaC15H16N3O3P
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name—
SMILESNP(N)(N)=O.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O2.H6N3OP/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-5(2,3)4/h1-10H;(H6,1,2,3,4)
InChIKeyNJFFOFXCIIBUGA-UHFFFAOYSA-N
XLogP2.43
TPSA125.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159796273?
The IUPAC name of CID 159796273 (CID 159796273) is not available.
What is the SMILES notation for CID 159796273?
The canonical SMILES for CID 159796273 is NP(N)(N)=O.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of CID 159796273?
The InChIKey is NJFFOFXCIIBUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.H6N3OP/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-5(2,3)4/h1-10H;(H6,1,2,3,4).
What are the key properties of CID 159796273?
CID 159796273 has a molecular weight of 317.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159796273 is sourced from PubChem (CID 159796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).