Molecule

ID:15883

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6,9,13H,4-5,7-8H2
InChIKey
UCNPUVAHPJTRPG-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ccccn1
Isomeric Smiles
C1(CCN(CC1)c1ncccc1)O
Calculated Properties
JChem
Acid pKa
15.177715
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.107584246
LogD (pH = 7.4)
0.7318841
Log P
0.7761344
Molar Refractivity
52.3675
Polarizability
19.665348
Polar Surface Area
36.36
Rotatable Bonds
1
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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