azane;formic acid

C10H290N90O20 — CID 173072725

IUPACazane;formic acid
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/10CH2O2.90H3N/c10*2-1-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*1H,(H,2,3);90*1H3
InChIKeyZRDVQRKXJNBUGH-UHFFFAOYSA-N
MW1993.04 g/mol
LogP11.59
Rot. Bonds

About azane;formic acid

azane;formic acid (PubChem CID 173072725) has the molecular formula C10H290N90O20 and a molecular weight of 1993.04 g/mol. Its IUPAC name is azane;formic acid.

Molecular Properties

Compound Nameazane;formic acid
PubChem CID173072725
Molecular FormulaC10H290N90O20
Molecular Weight1993.04 g/mol
Exact Mass1992.44
IUPAC Nameazane;formic acid
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/10CH2O2.90H3N/c10*2-1-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*1H,(H,2,3);90*1H3
InChIKeyZRDVQRKXJNBUGH-UHFFFAOYSA-N
XLogP11.59
TPSA3523.00 Ų
H-Bond Donors100
H-Bond Acceptors100
Rotatable Bonds
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.04
LogP ≤ 511.59
H-Bond Donors ≤ 5100
H-Bond Acceptors ≤ 10100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;formic acid?
The IUPAC name of azane;formic acid (CID 173072725) is azane;formic acid.
What is the SMILES notation for azane;formic acid?
The canonical SMILES for azane;formic acid is N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.
What is the InChIKey of azane;formic acid?
The InChIKey is ZRDVQRKXJNBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/10CH2O2.90H3N/c10*2-1-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10*1H,(H,2,3);90*1H3.
What are the key properties of azane;formic acid?
azane;formic acid has a molecular weight of 1993.04 g/mol, XLogP of 11.59, 0 rotatable bonds, 100 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formic acid is sourced from PubChem (CID 173072725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).