Molecule

ID:13023

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-7H,11H2,1-3H3
InChIKey
ZWYIVRRLANGKDU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(N)C)OC
Isomeric Smiles
c1(c(ccc(c1)OC)OC)C(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7315111
LogD (pH = 7.4)
-0.5006567
Log P
1.2002467
Molar Refractivity
51.8766
Polarizability
20.566431
Polar Surface Area
44.48
Rotatable Bonds
3
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