CID 154085741

N7O2S- — CID 154085741

IUPAC—
SMILES[N-]=[N+]=NN(N=[N+]=[N-])S(=O)[O-]
InChIInChI=1S/HN7O2S/c1-3-5-7(6-4-2)10(8)9/h(H,8,9)/p-1
InChIKeyGSHHBHULOCYSHA-UHFFFAOYSA-M
MW162.11 g/mol
LogP0.53
Rot. Bonds3

About CID 154085741

CID 154085741 (PubChem CID 154085741) has the molecular formula N7O2S- and a molecular weight of 162.11 g/mol.

Molecular Properties

Compound NameCID 154085741
PubChem CID154085741
Molecular FormulaN7O2S-
Molecular Weight162.11 g/mol
Exact Mass161.98
IUPAC Name—
SMILES[N-]=[N+]=NN(N=[N+]=[N-])S(=O)[O-]
InChIInChI=1S/HN7O2S/c1-3-5-7(6-4-2)10(8)9/h(H,8,9)/p-1
InChIKeyGSHHBHULOCYSHA-UHFFFAOYSA-M
XLogP0.53
TPSA140.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154085741?
The IUPAC name of CID 154085741 (CID 154085741) is not available.
What is the SMILES notation for CID 154085741?
The canonical SMILES for CID 154085741 is [N-]=[N+]=NN(N=[N+]=[N-])S(=O)[O-].
What is the InChIKey of CID 154085741?
The InChIKey is GSHHBHULOCYSHA-UHFFFAOYSA-M. The full InChI is InChI=1S/HN7O2S/c1-3-5-7(6-4-2)10(8)9/h(H,8,9)/p-1.
What are the key properties of CID 154085741?
CID 154085741 has a molecular weight of 162.11 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154085741 is sourced from PubChem (CID 154085741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).