Molecule

ID:54773

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c12-11(14)7-9-13-8-6-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H2,12,14)
InChIKey
MGFDDFHJSUZRFK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNCCc1ccccc1
Isomeric Smiles
C(=O)(CCNCCc1ccccc1)N
Calculated Properties
JChem
Acid pKa
16.708662
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4416842
LogD (pH = 7.4)
-1.3314639
Log P
0.7283093
Molar Refractivity
56.6672
Polarizability
22.197079
Polar Surface Area
55.12
Rotatable Bonds
6
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