Molecule

ID:85557

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-14-9-5-3-2-4-8(9)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)
InChIKey
DFPQFTAOLRRSFE-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCNC(=O)N
Isomeric Smiles
O=C(NCCc1ccccc1OC)N
Calculated Properties
JChem
Acid pKa
15.21388
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.71530527
LogD (pH = 7.4)
0.71530527
Log P
0.71530527
Molar Refractivity
53.8701
Polarizability
20.717785
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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