Molecule

ID:47871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKey
QTLHLXYADXCVCF-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccc(c(c1)C)N)CC
Isomeric Smiles
c1(cc(c(cc1)N)C)N(CCO)CC
Calculated Properties
JChem
Acid pKa
15.579251
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8261057
LogD (pH = 7.4)
1.4160429
Log P
1.4324911
Molar Refractivity
61.2691
Polarizability
22.357157
Polar Surface Area
49.49
Rotatable Bonds
4
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