Molecule

ID:30678

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3
InChIKey
MVPDGGMRKWOGHJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1Cc1ccc(cc1)N
Isomeric Smiles
N1(Cc2ccc(N)cc2)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5877039
LogD (pH = 7.4)
0.34040627
Log P
2.8751802
Molar Refractivity
70.3859
Polarizability
27.042143
Polar Surface Area
29.26
Rotatable Bonds
3
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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