Molecule

ID:47882

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-10-13(8-9-14(11)15)16(2)12-6-4-3-5-7-12/h8-10,12H,3-7,15H2,1-2H3
InChIKey
SMTQTCYSXNWTOJ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(c(c1)C)N)C1CCCCC1
Isomeric Smiles
c1(N(C2CCCCC2)C)cc(c(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6137818
LogD (pH = 7.4)
3.2206416
Log P
3.5650556
Molar Refractivity
71.2424
Polarizability
26.56188
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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