Molecule

ID:111359

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₄N₂O₂

Molecular Mass

194.23036

Exact Mass

194.1055277

Charge

0

InChI

InChI=1S/C10H14N2O2/c1-5-7(3)10(12(13)14)8(4)6(2)9(5)11/h11H2,1-4H3

InChIKey

HALLPDRKHGFBAB-UHFFFAOYSA-N

Canonic Smiles

Cc1c(C)c([N+](=O)[O-])c(c(c1N)C)C

Isomeric Smiles

Cc1c(C)c(c(C)c(C)c1N)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

3.1379683

LogD (pH = 7.4)

3.1379893

Log P

3.1379895

Molar Refractivity

58.2479

Polarizability

20.396223

Polar Surface Area

71.84

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity