Molecule

ID:30157

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO
Molecular Mass
181.27466
Exact Mass
181.14666423
Charge
0
InChI
InChI=1S/C11H19NO/c1-3-7-11(13,8-4-2)10-6-5-9-12-10/h3-4,10,12-13H,1-2,5-9H2
InChIKey
GVRIOVVQHOPRJB-UHFFFAOYSA-N
Canonic Smiles
C=CCC(C1CCCN1)(CC=C)O
Isomeric Smiles
C(C1NCCC1)(O)(CC=C)CC=C
Calculated Properties
JChem
Acid pKa
14.079549
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6343414
LogD (pH = 7.4)
-1.5159947
Log P
1.6059419
Molar Refractivity
55.5921
Polarizability
21.94173
Polar Surface Area
32.26
Rotatable Bonds
5
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