Molecule

ID:77676

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m1/s1
InChIKey
HPOGZEGDXGTDSX-CQSZACIVSA-N
Canonic Smiles
CC([C@@H]1NCCN(C1)Cc1ccccc1)C
Isomeric Smiles
N1(CCN[C@H](C1)C(C)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.87017816
LogD (pH = 7.4)
0.3526023
Log P
2.6827846
Molar Refractivity
68.7705
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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