Molecule

ID:31042

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKey
TYMAJBZHTKCAJJ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)N(C)C
Isomeric Smiles
C1(N(C)C)(CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7924259
LogD (pH = 7.4)
-1.603527
Log P
1.1162249
Molar Refractivity
48.8417
Polarizability
19.657892
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