Molecule

ID:13391

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₄
Molecular Mass
258.36198
Exact Mass
258.18444672
Charge
0
InChI
InChI=1S/C15H22N4/c1-18(2)15-6-4-14(5-7-15)12-16-8-3-10-19-11-9-17-13-19/h4-7,9,11,13,16H,3,8,10,12H2,1-2H3
InChIKey
OSEDJPOHDZBVRI-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CNCCCn1cncc1)C
Isomeric Smiles
c1c(ccc(c1)CNCCCn1ccnc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1785834
LogD (pH = 7.4)
-0.88478
Log P
1.6065252
Molar Refractivity
80.5405
Polarizability
30.38439
Polar Surface Area
33.09
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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