Molecule

ID:31534

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-11-4-5-13(12(14)10-11)16-9-8-15-6-2-3-7-15/h4-5,10H,2-3,6-9,14H2,1H3
InChIKey
CLRJAAULBZTFMM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)OCCN1CCCC1
Isomeric Smiles
c1(c(ccc(c1)C)OCCN1CCCC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2631294
LogD (pH = 7.4)
0.3677127
Log P
1.924512
Molar Refractivity
67.8229
Polarizability
25.764723
Polar Surface Area
38.49
Rotatable Bonds
4
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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