CID 57489597

H16N14 — CID 57489597

IUPAC—
SMILESNNNNNNNNNNNNNN
InChIInChI=1S/H16N14/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H,1-2H2
InChIKeyGHJLEGMZVCCIPH-UHFFFAOYSA-N
MW212.23 g/mol
LogP-7.13
Rot. Bonds11

About CID 57489597

CID 57489597 (PubChem CID 57489597) has the molecular formula H16N14 and a molecular weight of 212.23 g/mol.

Molecular Properties

Compound NameCID 57489597
PubChem CID57489597
Molecular FormulaH16N14
Molecular Weight212.23 g/mol
Exact Mass212.17
IUPAC Name—
SMILESNNNNNNNNNNNNNN
InChIInChI=1S/H16N14/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H,1-2H2
InChIKeyGHJLEGMZVCCIPH-UHFFFAOYSA-N
XLogP-7.13
TPSA196.40 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500212.23
LogP ≤ 5-7.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

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'}

Analyze CID 57489597 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 57489597?
The IUPAC name of CID 57489597 (CID 57489597) is not available.
What is the SMILES notation for CID 57489597?
The canonical SMILES for CID 57489597 is NNNNNNNNNNNNNN.
What is the InChIKey of CID 57489597?
The InChIKey is GHJLEGMZVCCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/H16N14/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H,1-2H2.
What are the key properties of CID 57489597?
CID 57489597 has a molecular weight of 212.23 g/mol, XLogP of -7.13, 11 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57489597 is sourced from PubChem (CID 57489597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).