Molecule

ID:115764

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-2-7-11-8-9-3-5-10-6-4-9/h2,9-10H,1,3-8H2
InChIKey
JWJYUFXQGCFSJG-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC1CCNCC1
Isomeric Smiles
N1CCC(COCC=C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2712634
LogD (pH = 7.4)
-1.8105086
Log P
0.96015817
Molar Refractivity
47.1496
Polarizability
18.561886
Polar Surface Area
21.26
Rotatable Bonds
4
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