Molecule

ID:34810

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c1-8(2)11-9(13)7-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKey
FFOHTSTWXWJGQR-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)CN1CCNCC1)C
Isomeric Smiles
C(=O)(NC(C)C)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
15.934478
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7057269
LogD (pH = 7.4)
-2.2035832
Log P
-0.67765915
Molar Refractivity
52.7144
Polarizability
20.839008
Polar Surface Area
44.37
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