Molecule

ID:31192

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11,15H2,1H3
InChIKey
COHIJNCVLZYTDS-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCOc1ccc(cc1)N
Isomeric Smiles
N1(CCC(CC1)C)CCOc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1877882
LogD (pH = 7.4)
0.41263226
Log P
2.1426783
Molar Refractivity
71.9313
Polarizability
27.686901
Polar Surface Area
38.49
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