Molecule

ID:8305

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h3-5,8H,2,6-7,11H2,1H3
InChIKey
PBWUNLYMHNSAPQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc(c1)OCC
Isomeric Smiles
c1cc(cc(c1)OCC)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4216726
LogD (pH = 7.4)
-0.6968845
Log P
1.5868121
Molar Refractivity
50.4982
Polarizability
19.836073
Polar Surface Area
35.25
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