Molecule

ID:17014

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKey
MQRPNOSBMHBKSJ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCCC1
Isomeric Smiles
c1(C(N2CCCC2)CN)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8009243
LogD (pH = 7.4)
-0.5098329
Log P
1.425552
Molar Refractivity
66.2249
Polarizability
26.233402
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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