Molecule

ID:47827

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-3-13-6-4-5-9-16(13)14-8-7-12(15)10-11(14)2/h7-8,10,13H,3-6,9,15H2,1-2H3
InChIKey
YYURIJVGKUHVRE-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccc(cc1C)N
Isomeric Smiles
N1(c2c(cc(cc2)N)C)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5048593
LogD (pH = 7.4)
3.1452155
Log P
3.5552487
Molar Refractivity
71.313
Polarizability
26.561789
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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