Molecule

ID:30656

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2
InChIKey
XORIOVHPKOZEMR-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccccn1
Isomeric Smiles
c1(ncccc1)OC1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3722923
LogD (pH = 7.4)
-1.5268998
Log P
0.83611786
Molar Refractivity
50.8342
Polarizability
20.114086
Polar Surface Area
34.15
Rotatable Bonds
2
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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