Molecule

ID:25227

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₂
Molecular Mass
252.35256
Exact Mass
252.18377802
Charge
0
InChI
InChI=1S/C14H24N2O2/c1-16(2)9-5-8-15-11-12-6-7-13(17-3)14(10-12)18-4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKey
YKVZACPPYQZKKR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCCN(C)C)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)CNCCCN(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.9901798
LogD (pH = 7.4)
-1.5428631
Log P
1.2948564
Molar Refractivity
75.1169
Polarizability
29.469416
Polar Surface Area
33.73
Rotatable Bonds
8
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