Molecule

ID:12907

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c1-2-20-13-4-5-14-11(9-13)8-12(15(19)17-14)10-16-6-3-7-18/h4-5,8-9,16,18H,2-3,6-7,10H2,1H3,(H,17,19)
InChIKey
GMQKFIXQQXFZFQ-UHFFFAOYSA-N
Canonic Smiles
OCCCNCc1cc2cc(OCC)ccc2[nH]c1=O
Isomeric Smiles
c1cc2c(cc1OCC)cc(c(=O)[nH]2)CNCCCO
Calculated Properties
JChem
Acid pKa
14.061494
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.303225
LogD (pH = 7.4)
-0.6920775
Log P
0.6066147
Molar Refractivity
80.2126
Polarizability
30.0219
Polar Surface Area
70.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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