Molecule

ID:19869

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-12-7-8-14(16)15(11-12)17-10-9-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,16H2,1H3
InChIKey
XYZVCWOUSJFSPH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1OCCC1CCCCC1)C
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8935165
LogD (pH = 7.4)
3.9797487
Log P
3.9809682
Molar Refractivity
72.6858
Polarizability
27.931725
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