Molecule
ID:21946
General Information
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKey
FLXMHAHQLCYFOI-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(N)cc1)NCCCC
Calculated Properties
JChem
Acid pKa
15.769281
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5391692
LogD (pH = 7.4)
1.5424927
Log P
1.5425352
Molar Refractivity
58.6071
Polarizability
21.663324
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...