Molecule

ID:68043

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKey
NVKDDQBZODSEIN-OCCSQVGLSA-N
Canonic Smiles
CN[C@H]1CN(CC[C@H]1C)Cc1ccccc1
Isomeric Smiles
N1(C[C@@H]([C@@H](CC1)C)NC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1664808
LogD (pH = 7.4)
-0.43967414
Log P
2.3807766
Molar Refractivity
69.0079
Polarizability
27.44732
Polar Surface Area
15.27
Rotatable Bonds
3
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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