Molecule

ID:40363

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-9(2,8-11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKey
LHDZEESTYAQLEU-UHFFFAOYSA-N
Canonic Smiles
O=CC(N1CCCCC1)(C)C
Isomeric Smiles
N1(C(C=O)(C)C)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.370064
LogD (pH = 7.4)
0.40078518
Log P
1.3614328
Molar Refractivity
46.4965
Polarizability
18.177366
Polar Surface Area
20.31
Rotatable Bonds
2
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