Molecule

ID:38113

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉NO
Molecular Mass
145.24256
Exact Mass
145.14666423
Charge
0
InChI
InChI=1S/C8H19NO/c1-4-8(5-2,7-10)6-9-3/h9-10H,4-7H2,1-3H3
InChIKey
HPXWURQTDWCKPJ-UHFFFAOYSA-N
Canonic Smiles
CNCC(CO)(CC)CC
Isomeric Smiles
C(CC)(CC)(CNC)CO
Calculated Properties
JChem
Acid pKa
15.072758
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.1850872
LogD (pH = 7.4)
-1.544099
Log P
1.0377917
Molar Refractivity
43.8124
Polarizability
17.615318
Polar Surface Area
32.26
Rotatable Bonds
5
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