Molecule

ID:58099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-9(2)7-11-5-3-10(8-12)4-6-11/h9-10,12H,3-8H2,1-2H3
InChIKey
SNXAUSJVVABUEI-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)CC(C)C
Isomeric Smiles
C1CN(CCC1CO)CC(C)C
Calculated Properties
JChem
Acid pKa
15.467191
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2415018
LogD (pH = 7.4)
-1.2880764
Log P
1.213133
Molar Refractivity
52.2746
Polarizability
20.570166
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