Molecule

ID:30346

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c12-8-3-4-10(9(7-8)11(13)15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKey
ZGAKJYKEQQWIJS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)N)N1CCCC1
Isomeric Smiles
c1(c(N2CCCC2)ccc(c1)N)C(=O)N
Calculated Properties
JChem
Acid pKa
14.944442
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.40610918
LogD (pH = 7.4)
0.50734395
Log P
0.50880146
Molar Refractivity
61.8064
Polarizability
22.079102
Polar Surface Area
72.35
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