Molecule
ID:24838
General Information
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-8,11H,1-3H3
InChIKey
ZVAXFKMPKLESSD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(C)C
Isomeric Smiles
N(c1ccc(cc1)OC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3537537
LogD (pH = 7.4)
2.0396097
Log P
2.0617356
Molar Refractivity
51.8824
Polarizability
19.517967
Polar Surface Area
21.26
Rotatable Bonds
3
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...