Molecule

ID:47813

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-8-6-9(12)2-3-11(8)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7,12H2,1H3
InChIKey
LLUHYADUGJCIEN-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)c1ccc(cc1C)N
Isomeric Smiles
N1(c2c(cc(cc2)N)C)CC(CC1)O
Calculated Properties
JChem
Acid pKa
14.832612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.33893278
LogD (pH = 7.4)
1.002964
Log P
1.023885
Molar Refractivity
59.0871
Polarizability
21.626465
Polar Surface Area
49.49
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