Molecule

ID:33124

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-7-2-3-9-8(6-7)12-10(13-9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKey
QUHSPVCYQJXRGG-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(o1)ccc(c2)C
Isomeric Smiles
n1c(oc2c1cc(cc2)C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.692159
LogD (pH = 7.4)
-0.585445
Log P
1.2692344
Molar Refractivity
50.2641
Polarizability
20.735418
Polar Surface Area
52.05
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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