Molecule

ID:44577

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2
InChIKey
DGTNEDHBSGFIBX-UHFFFAOYSA-N
Canonic Smiles
C=CCCNCc1ccccc1
Isomeric Smiles
C(=C)CCNCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.65725833
LogD (pH = 7.4)
0.17276275
Log P
2.5515056
Molar Refractivity
53.2237
Polarizability
20.910448
Polar Surface Area
12.03
Rotatable Bonds
5
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