Molecule

ID:18824

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-9-4-3-8-6-7(9)2-5-10/h7-8,10H,2-6H2,1H3
InChIKey
PPUMKKKFXCWRNH-UHFFFAOYSA-N
Canonic Smiles
CN1CCNCC1CCO
Isomeric Smiles
N1(C(CCO)CNCC1)C
Calculated Properties
JChem
Acid pKa
15.921791
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2534084
LogD (pH = 7.4)
-2.8125446
Log P
-0.9161341
Molar Refractivity
41.5714
Polarizability
16.56564
Polar Surface Area
35.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
3
H Donor
2
Log P
-0.7
LOG S
0.84
Polar Surface Area
35.5
Rotatable Bonds
2
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