1-methylacridine;nitric acid

C14H12N2O3 — CID 173117700

IUPAC1-methylacridine;nitric acid
SMILESCc1cccc2nc3ccccc3cc12.O=[N+]([O-])O
InChIInChI=1S/C14H11N.HNO3/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;2-1(3)4/h2-9H,1H3;(H,2,3,4)
InChIKeyVPBMJFIPPLXKPG-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.35
Rot. Bonds

About 1-methylacridine;nitric acid

1-methylacridine;nitric acid (PubChem CID 173117700) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-methylacridine;nitric acid.

Molecular Properties

Compound Name1-methylacridine;nitric acid
PubChem CID173117700
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name1-methylacridine;nitric acid
SMILESCc1cccc2nc3ccccc3cc12.O=[N+]([O-])O
InChIInChI=1S/C14H11N.HNO3/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;2-1(3)4/h2-9H,1H3;(H,2,3,4)
InChIKeyVPBMJFIPPLXKPG-UHFFFAOYSA-N
XLogP3.35
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-methylacridine;nitric 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 1-methylacridine;nitric acid?
The IUPAC name of 1-methylacridine;nitric acid (CID 173117700) is 1-methylacridine;nitric acid.
What is the SMILES notation for 1-methylacridine;nitric acid?
The canonical SMILES for 1-methylacridine;nitric acid is Cc1cccc2nc3ccccc3cc12.O=[N+]([O-])O.
What is the InChIKey of 1-methylacridine;nitric acid?
The InChIKey is VPBMJFIPPLXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.HNO3/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;2-1(3)4/h2-9H,1H3;(H,2,3,4).
What are the key properties of 1-methylacridine;nitric acid?
1-methylacridine;nitric acid has a molecular weight of 256.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylacridine;nitric acid is sourced from PubChem (CID 173117700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).