Molecule

ID:19343

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-16-13-7-3-2-6-11(13)12(10-14)15-8-4-5-9-15/h2-3,6-7,12H,4-5,8-10,14H2,1H3
InChIKey
POEBBICUEKUPHT-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1OC)N1CCCC1
Isomeric Smiles
c1(C(N2CCCC2)CN)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6015627
LogD (pH = 7.4)
-0.33781072
Log P
1.425552
Molar Refractivity
66.2249
Polarizability
26.23368
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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