Molecule

ID:48238

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-2-18-14(17)11-6-7-13(12(15)10-11)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3
InChIKey
NZNCMBCPAWKKSB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4606168
LogD (pH = 7.4)
2.4629846
Log P
2.4630148
Molar Refractivity
74.1029
Polarizability
27.346212
Polar Surface Area
55.56
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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