CID 148797057

H30N28 — CID 148797057

IUPAC—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNNNNN
InChIInChI=1S/H30N28/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H,1-2H2
InChIKeySURFOQPRYXCXIH-UHFFFAOYSA-N
MW422.44 g/mol
LogP-14.06
Rot. Bonds25

About CID 148797057

CID 148797057 (PubChem CID 148797057) has the molecular formula H30N28 and a molecular weight of 422.44 g/mol.

Molecular Properties

Compound NameCID 148797057
PubChem CID148797057
Molecular FormulaH30N28
Molecular Weight422.44 g/mol
Exact Mass422.32
IUPAC Name—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNNNNN
InChIInChI=1S/H30N28/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H,1-2H2
InChIKeySURFOQPRYXCXIH-UHFFFAOYSA-N
XLogP-14.06
TPSA364.82 Ų
H-Bond Donors28
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500422.44
LogP ≤ 5-14.06
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1028

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 148797057?
The IUPAC name of CID 148797057 (CID 148797057) is not available.
What is the SMILES notation for CID 148797057?
The canonical SMILES for CID 148797057 is NNNNNNNNNNNNNNNNNNNNNNNNNNNN.
What is the InChIKey of CID 148797057?
The InChIKey is SURFOQPRYXCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/H30N28/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H,1-2H2.
What are the key properties of CID 148797057?
CID 148797057 has a molecular weight of 422.44 g/mol, XLogP of -14.06, 25 rotatable bonds, 28 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148797057 is sourced from PubChem (CID 148797057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).