Molecule

ID:51631

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-11-9(8-14)4-5-10(12-11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKey
DUXXVGOFEXESLC-UHFFFAOYSA-N
Canonic Smiles
COc1nc(ccc1C=O)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.010467
LogD (pH = 7.4)
2.0131269
Log P
2.013161
Molar Refractivity
59.5449
Polarizability
21.636415
Polar Surface Area
42.43
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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