Molecule

ID:69662

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10H,12H2,1-3H3
InChIKey
INGIGRKEXZOVTB-UHFFFAOYSA-N
Canonic Smiles
NC(C(C)(C)C)c1ccccc1
Isomeric Smiles
NC(C(C)(C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.21064608
LogD (pH = 7.4)
0.69660336
Log P
2.7810853
Molar Refractivity
52.3439
Polarizability
21.137318
Polar Surface Area
26.02
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