Molecule
ID:124213
General Information
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3
InChIKey
DVBJRCJZHINEGR-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(c1ccccc1)C
Isomeric Smiles
C(=O)(N(c1ccccc1)C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5460684
LogD (pH = 7.4)
-1.3230512
Log P
0.38790515
Molar Refractivity
52.096
Polarizability
20.41868
Polar Surface Area
46.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...