Molecule

ID:24382

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O
Molecular Mass
199.29324
Exact Mass
199.16846231
Charge
0
InChI
InChI=1S/C10H21N3O/c1-13(8-7-10(14)12-11)9-5-3-2-4-6-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKey
YKIBQYWKSVLFHB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN(C1CCCCC1)C
Isomeric Smiles
C(=O)(CCN(C1CCCCC1)C)NN
Calculated Properties
JChem
Acid pKa
13.394884
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.875824
LogD (pH = 7.4)
-2.115336
Log P
0.6010177
Molar Refractivity
58.0926
Polarizability
22.580238
Polar Surface Area
58.36
Rotatable Bonds
4
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