Molecule

ID:68243

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
InChIKey
TZWXPIKAEAYGPF-UHFFFAOYSA-N
Canonic Smiles
NC1CC2CCC(C1)N2Cc1ccccc1
Isomeric Smiles
C12CC(CC(CC1)N2Cc1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.4241085
LogD (pH = 7.4)
-2.4404387
Log P
1.651152
Molar Refractivity
66.8639
Polarizability
26.704157
Polar Surface Area
29.26
Rotatable Bonds
2
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
References
Bioactivity
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