Molecule

ID:35672

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₂
Molecular Mass
240.34186
Exact Mass
240.18377802
Charge
0
InChI
InChI=1S/C13H24N2O2/c1-2-16-10-5-9-15(8-4-7-14)12-13-6-3-11-17-13/h3,6,11H,2,4-5,7-10,12,14H2,1H3
InChIKey
LHYFPBCXOHOFLS-UHFFFAOYSA-N
Canonic Smiles
NCCCN(Cc1ccco1)CCCOCC
Isomeric Smiles
c1(occc1)CN(CCCOCC)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.797282
LogD (pH = 7.4)
-2.614001
Log P
0.6076573
Molar Refractivity
70.4643
Polarizability
27.507063
Polar Surface Area
51.63
Rotatable Bonds
10
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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