Molecule

ID:41432

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c1-2-4-14(5-3-1)12-17-10-7-15(8-11-17)6-9-16-13-15/h1-5,16H,6-13H2
InChIKey
MDBVTGGHEWEATH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC2(CC1)CNCC2
Isomeric Smiles
N1(Cc2ccccc2)CCC2(CC1)CNCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.4582458
LogD (pH = 7.4)
-2.7303374
Log P
1.9234695
Molar Refractivity
72.2416
Polarizability
28.551031
Polar Surface Area
15.27
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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