Molecule

ID:48480

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-3-12(4-2)9-8(10(13)14)6-5-7-11-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKey
UBHPSUKLWQYINO-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncccc1C(=O)O)CC
Isomeric Smiles
c1(c(nccc1)N(CC)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
2.447513
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.16163746
LogD (pH = 7.4)
-0.6646873
Log P
0.18608364
Molar Refractivity
55.3966
Polarizability
20.276962
Polar Surface Area
53.43
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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