Molecule

ID:119955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3,(H2,11,12)
InChIKey
QMBPJEIUEYDRGP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1nccc2N
Isomeric Smiles
c12c(nccc1N)c(OC)ccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23439865
LogD (pH = 7.4)
1.0892917
Log P
1.1443032
Molar Refractivity
51.1429
Polarizability
20.625814
Polar Surface Area
48.14
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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