Molecule

ID:76459

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
InChIKey
CJDICMLSLYHRPT-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(c1)[N+](=O)[O-])C
Isomeric Smiles
N(c1cc(ccc1)[N+](=O)[O-])(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.021201
LogD (pH = 7.4)
2.021273
Log P
2.0212739
Molar Refractivity
46.8071
Polarizability
17.022734
Polar Surface Area
46.38
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation