Molecule

ID:113508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O
Molecular Mass
209.28806
Exact Mass
209.15281224
Charge
0
InChI
InChI=1S/C11H19N3O/c1-9-6-14(13)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6,13H2,1-2H3,(H2,12,15)
InChIKey
NVGRITGGWUFEBX-UHFFFAOYSA-N
Canonic Smiles
NN1CC2(C3(C1(CC2CC3)C(=O)N)C)C
Isomeric Smiles
C12(C3(C(CN1N)(C(C2)CC3)C)C)C(=O)N
Calculated Properties
JChem
Acid pKa
16.212261
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.44593164
LogD (pH = 7.4)
-0.22664571
Log P
-0.22299148
Molar Refractivity
57.6905
Polarizability
22.869505
Polar Surface Area
72.35
Rotatable Bonds
1
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