Molecule

ID:14683

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-4-3-5-12(2)16(11)10-13-6-8-14(15)9-7-13/h6-9,11-12H,3-5,10,15H2,1-2H3
InChIKey
OXTPGYNBWHJWOR-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1Cc1ccc(cc1)N)C
Isomeric Smiles
N1(Cc2ccc(cc2)N)C(CCCC1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6930953
LogD (pH = 7.4)
0.23785214
Log P
2.7692327
Molar Refractivity
70.2807
Polarizability
27.042143
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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