Molecule

ID:112989

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O
Molecular Mass
224.34246
Exact Mass
224.1888634
Charge
0
InChI
InChI=1S/C13H24N2O/c1-9(2)14-5-11-7-15(10(3)4)8-12(6-14)13(11)16/h9-12H,5-8H2,1-4H3
InChIKey
YGTKXITWJVCHQV-UHFFFAOYSA-N
Canonic Smiles
CC(N1C[C@@H]2CN(C[C@H](C1)C2=O)C(C)C)C
Isomeric Smiles
[C@H]12C(=O)[C@@H](CN(C2)C(C)C)CN(C1)C(C)C
Calculated Properties
JChem
Acid pKa
16.144796
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.9483924
LogD (pH = 7.4)
0.07531848
Log P
1.4716526
Molar Refractivity
66.9622
Polarizability
26.345228
Polar Surface Area
23.55
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