Molecule

ID:33321

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-8-3-5-11(6-4-8)7-9(12)10-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKey
WJSITFWMUQEBDZ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CN1CCC(CC1)C
Isomeric Smiles
N1(CC(=O)NC)CCC(CC1)C
Calculated Properties
JChem
Acid pKa
16.196875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3735788
LogD (pH = 7.4)
-0.600067
Log P
0.22227146
Molar Refractivity
49.4822
Polarizability
19.311396
Polar Surface Area
32.34
Rotatable Bonds
2
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