anthracene-9,10-dione;carbamic acid

C16H14N2O6 — CID 70556478

IUPACanthracene-9,10-dione;carbamic acid
SMILESNC(=O)O.NC(=O)O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.2CH3NO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*2-1(3)4/h1-8H;2*2H2,(H,3,4)
InChIKeyMMQLFCKOEATDLG-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.71
Rot. Bonds

About anthracene-9,10-dione;carbamic acid

anthracene-9,10-dione;carbamic acid (PubChem CID 70556478) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is anthracene-9,10-dione;carbamic acid.

Molecular Properties

Compound Nameanthracene-9,10-dione;carbamic acid
PubChem CID70556478
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Nameanthracene-9,10-dione;carbamic acid
SMILESNC(=O)O.NC(=O)O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.2CH3NO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*2-1(3)4/h1-8H;2*2H2,(H,3,4)
InChIKeyMMQLFCKOEATDLG-UHFFFAOYSA-N
XLogP1.71
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze anthracene-9,10-dione;carbamic acid 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 anthracene-9,10-dione;carbamic acid?
The IUPAC name of anthracene-9,10-dione;carbamic acid (CID 70556478) is anthracene-9,10-dione;carbamic acid.
What is the SMILES notation for anthracene-9,10-dione;carbamic acid?
The canonical SMILES for anthracene-9,10-dione;carbamic acid is NC(=O)O.NC(=O)O.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;carbamic acid?
The InChIKey is MMQLFCKOEATDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.2CH3NO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*2-1(3)4/h1-8H;2*2H2,(H,3,4).
What are the key properties of anthracene-9,10-dione;carbamic acid?
anthracene-9,10-dione;carbamic acid has a molecular weight of 330.30 g/mol, XLogP of 1.71, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;carbamic acid is sourced from PubChem (CID 70556478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).