Molecule

ID:47701

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-3-12-6-4-5-9-16(12)14-8-7-11(2)10-13(14)15/h7-8,10,12H,3-6,9,15H2,1-2H3
InChIKey
ANYRNLWMCRVIHU-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccc(cc1N)C
Isomeric Smiles
N1(c2c(cc(cc2)C)N)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0884044
LogD (pH = 7.4)
3.5448031
Log P
3.5552487
Molar Refractivity
71.313
Polarizability
26.5625
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