CID 153293596

H27N25 — CID 153293596

IUPAC—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNN
InChIInChI=1S/H27N25/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H,1-2H2
InChIKeyRTJHEWSXFQPBGN-UHFFFAOYSA-N
MW377.39 g/mol
LogP-12.58
Rot. Bonds22

About CID 153293596

CID 153293596 (PubChem CID 153293596) has the molecular formula H27N25 and a molecular weight of 377.39 g/mol.

Molecular Properties

Compound NameCID 153293596
PubChem CID153293596
Molecular FormulaH27N25
Molecular Weight377.39 g/mol
Exact Mass377.29
IUPAC Name—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNN
InChIInChI=1S/H27N25/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H,1-2H2
InChIKeyRTJHEWSXFQPBGN-UHFFFAOYSA-N
XLogP-12.58
TPSA328.73 Ų
H-Bond Donors25
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500377.39
LogP ≤ 5-12.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 153293596?
The IUPAC name of CID 153293596 (CID 153293596) is not available.
What is the SMILES notation for CID 153293596?
The canonical SMILES for CID 153293596 is NNNNNNNNNNNNNNNNNNNNNNNNN.
What is the InChIKey of CID 153293596?
The InChIKey is RTJHEWSXFQPBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/H27N25/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H,1-2H2.
What are the key properties of CID 153293596?
CID 153293596 has a molecular weight of 377.39 g/mol, XLogP of -12.58, 22 rotatable bonds, 25 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153293596 is sourced from PubChem (CID 153293596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).