Molecule

ID:21943

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKey
ACHJACAEYOYEBF-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)CC(C)C
Calculated Properties
JChem
Acid pKa
15.8977165
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7973678
LogD (pH = 7.4)
1.8139384
Log P
1.8141538
Molar Refractivity
59.3979
Polarizability
21.871172
Polar Surface Area
55.12
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