Molecule

ID:77007

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃
Molecular Mass
259.3898
Exact Mass
259.20484782
Charge
0
InChI
InChI=1S/C16H25N3/c17-14-6-8-16(9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13,17H2
InChIKey
ZAMDJKJYSOHKKL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(C2CCCCC2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7116812
LogD (pH = 7.4)
1.0718938
Log P
2.898754
Molar Refractivity
82.2513
Polarizability
31.1165
Polar Surface Area
32.5
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
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Molecule Details
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References
Bioactivity
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