Molecule

ID:58148

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-8(2)5-10-4-3-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3
InChIKey
ONWDHDUWKQHHCA-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)CC(C)C
Isomeric Smiles
C1C(CCN1CC(C)C)CO
Calculated Properties
JChem
Acid pKa
15.4292755
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6711028
LogD (pH = 7.4)
-2.012607
Log P
0.81012106
Molar Refractivity
47.5748
Polarizability
18.725828
Polar Surface Area
23.47
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