Molecule
ID:11357
General Information
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKey
SNRCGOVPZJPRQZ-UHFFFAOYSA-N
Canonic Smiles
OCCCCNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)CCCCO
Calculated Properties
JChem
Acid pKa
15.972578
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7701569
LogD (pH = 7.4)
-0.7716529
Log P
1.418815
Molar Refractivity
55.1083
Polarizability
21.70145
Polar Surface Area
32.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...