Molecule

ID:66477

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₃
Molecular Mass
222.24046
Exact Mass
222.10044232
Charge
0
InChI
InChI=1S/C11H14N2O3/c14-13(15)11-3-1-10(2-4-11)9-12-5-7-16-8-6-12/h1-4H,5-9H2
InChIKey
KNTGXGBOYZAKTA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)CN1CCOCC1
Isomeric Smiles
N1(CCOCC1)Cc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9171786
LogD (pH = 7.4)
1.6135368
Log P
1.6361263
Molar Refractivity
59.9957
Polarizability
22.898367
Polar Surface Area
55.61
Rotatable Bonds
3
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