Molecule

ID:29126

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h5-8,12H,3-4,9H2,1-2H3
InChIKey
KLBGDUZWAJNQRX-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1ccccc1OC
Isomeric Smiles
c1(c(OC)cccc1)NCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3124511
LogD (pH = 7.4)
2.6068342
Log P
2.6122518
Molar Refractivity
56.5886
Polarizability
21.365728
Polar Surface Area
21.26
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