Molecule

ID:34357

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2
InChIKey
JTEJMGHPAYJBTA-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCc2c(C1)cccc2
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0886147
LogD (pH = 7.4)
-0.96872616
Log P
1.1575472
Molar Refractivity
55.8601
Polarizability
21.823381
Polar Surface Area
29.26
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