Molecule

ID:31335

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c15-14(13-7-3-1-4-8-13)9-12-16-10-5-2-6-11-16/h1,3-4,7-8,14H,2,5-6,9-12,15H2
InChIKey
AQRWYAQXDIBCCU-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CCN1CCCCC1
Isomeric Smiles
N1(CCC(c2ccccc2)N)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2428794
LogD (pH = 7.4)
-0.9065388
Log P
2.0877516
Molar Refractivity
69.2281
Polarizability
27.446875
Polar Surface Area
29.26
Rotatable Bonds
4
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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