Molecule

ID:86265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7-9(8(2)14-11-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKey
VVPTWJKVJGQBRN-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1C(=O)N1CCCC1)C
Isomeric Smiles
n1c(c(c(o1)C)C(=O)N1CCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.37250328
LogD (pH = 7.4)
0.3725125
Log P
0.3725126
Molar Refractivity
53.654
Polarizability
19.364872
Polar Surface Area
46.34
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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