Molecule

ID:123772

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-12(5-6-13)10(14)8-3-2-4-9(11)7-8/h2-4,7,13H,5-6,11H2,1H3
InChIKey
VGKOQCOYUJTHKM-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1cccc(c1)N)C
Isomeric Smiles
C(=O)(c1cc(N)ccc1)N(CCO)C
Calculated Properties
JChem
Acid pKa
15.574233
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.25013527
LogD (pH = 7.4)
-0.24781933
Log P
-0.24778973
Molar Refractivity
55.9225
Polarizability
20.4545
Polar Surface Area
66.56
Rotatable Bonds
3
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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