Molecule

ID:35625

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-4-2-3-5-14(12)11-16-8-6-13(10-15)7-9-16/h2-5,13H,6-11,15H2,1H3
InChIKey
GWPCEKVJSLDCLT-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1ccccc1C
Isomeric Smiles
N1(Cc2c(C)cccc2)CCC(CC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3434067
LogD (pH = 7.4)
-2.770748
Log P
2.0998425
Molar Refractivity
69.8417
Polarizability
27.366194
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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