Molecule

ID:23356

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7,12H2
InChIKey
DKAPTTYZYHVSIO-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.84560823
LogD (pH = 7.4)
0.8480782
Log P
0.8481098
Molar Refractivity
57.1712
Polarizability
20.935213
Polar Surface Area
46.33
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
暂无数据
点击上传数据
References
Bioactivity
Navigation