Molecule

ID:118337

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c1-13-4-2-3-10(13)11(9-12)14-5-7-15-8-6-14/h2-4,11H,5-8H2,1H3
InChIKey
KHQGEVFREDKMRW-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1cccn1C)N1CCOCC1
Isomeric Smiles
c1(C(N2CCOCC2)C#N)n(ccc1)C
Calculated Properties
JChem
Acid pKa
14.621606
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6659026
LogD (pH = 7.4)
0.6675706
Log P
0.66759187
Molar Refractivity
58.0174
Polarizability
22.17424
Polar Surface Area
41.19
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