Molecule

ID:24303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₃
Molecular Mass
235.3684
Exact Mass
235.20484782
Charge
0
InChI
InChI=1S/C14H25N3/c1-3-17(4-2)14-8-6-13(7-9-14)12-16-11-5-10-15/h6-9,16H,3-5,10-12,15H2,1-2H3
InChIKey
RNMAJBQTNXDUOK-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1ccc(cc1)N(CC)CC
Isomeric Smiles
c1(N(CC)CC)ccc(cc1)CNCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.54075
LogD (pH = 7.4)
-2.354115
Log P
1.6162304
Molar Refractivity
76.047
Polarizability
29.3004
Polar Surface Area
41.29
Rotatable Bonds
8
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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