Molecule

ID:31596

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-5-2-3-8-15(11)10-12-6-4-7-13(14)9-12/h4,6-7,9,11H,2-3,5,8,10,14H2,1H3
InChIKey
PVBWZYYMIBPJCR-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CN1CCCCC1C
Isomeric Smiles
N1(Cc2cc(N)ccc2)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0808113
LogD (pH = 7.4)
0.027064817
Log P
2.3526578
Molar Refractivity
65.8619
Polarizability
25.195427
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