Molecule

ID:24453

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O
Molecular Mass
210.31588
Exact Mass
210.17321333
Charge
0
InChI
InChI=1S/C12H22N2O/c1-13-12(15)8-10-14-9-7-11-5-3-2-4-6-11/h5,14H,2-4,6-10H2,1H3,(H,13,15)
InChIKey
YFOOQYCLUUIQJZ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNCCC1=CCCCC1
Isomeric Smiles
C(=O)(CCNCCC1=CCCCC1)NC
Calculated Properties
JChem
Acid pKa
16.321592
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.1924152
LogD (pH = 7.4)
-1.3398159
Log P
1.0141697
Molar Refractivity
63.4693
Polarizability
24.59899
Polar Surface Area
41.13
Rotatable Bonds
6
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