Molecule

ID:45344

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₃
Molecular Mass
280.36266
Exact Mass
280.17869264
Charge
0
InChI
InChI=1S/C15H24N2O3/c1-19-14-7-12(8-15(9-14)20-2)11-17-5-4-16-10-13(17)3-6-18/h7-9,13,16,18H,3-6,10-11H2,1-2H3
InChIKey
ZLLRZWIJPOZXHJ-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1cc(OC)cc(c1)OC
Isomeric Smiles
N1(Cc2cc(cc(c2)OC)OC)C(CCO)CNCC1
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.6058567
LogD (pH = 7.4)
-1.169201
Log P
0.49299648
Molar Refractivity
79.1104
Polarizability
31.193249
Polar Surface Area
53.96
Rotatable Bonds
6
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
5
H Donor
2
Log P
0.55
LOG S
-0.71
Polar Surface Area
53.96
Rotatable Bonds
6
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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