Molecule

ID:116971

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂
Molecular Mass
154.25262
Exact Mass
154.14699859
Charge
0
InChI
InChI=1S/C9H18N2/c1-11-7-6-10-9(8-11)4-2-3-5-9/h10H,2-8H2,1H3
InChIKey
MTJIOPLJIVEVOW-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC2(C1)CCCC2
Isomeric Smiles
N1(CC2(NCC1)CCCC2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4080353
LogD (pH = 7.4)
-1.5004938
Log P
0.93271166
Molar Refractivity
47.0463
Polarizability
18.918522
Polar Surface Area
15.27
Rotatable Bonds
0
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