Molecule

ID:38228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-17(13-6-4-9-16-10-8-13)15(18)12-5-3-7-14(11-12)19-2/h3,5,7,11,13,16H,4,6,8-10H2,1-2H3
InChIKey
LRLFCVCWYSXXRP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)N(C1CCNCCC1)C
Isomeric Smiles
C(=O)(N(C1CCNCCC1)C)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9572232
LogD (pH = 7.4)
-1.5095692
Log P
1.2746879
Molar Refractivity
76.194
Polarizability
29.363865
Polar Surface Area
41.57
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