Molecule

ID:34641

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h2,7H,1,3-6H2,(H,10,11)
InChIKey
DOGFGDKIOOAKNQ-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCCC1C(=O)O
Isomeric Smiles
C1N(C(CC1)C(=O)O)CC=C
Calculated Properties
JChem
Acid pKa
1.8522086
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7129161
LogD (pH = 7.4)
-1.7137766
Log P
-1.7128867
Molar Refractivity
42.5217
Polarizability
16.539894
Polar Surface Area
40.54
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