Molecule

ID:41157

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-6,8,13H,7H2
InChIKey
SRQXVPAXMMIUFH-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)n1cncc1
Isomeric Smiles
n1(cncc1)c1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
15.110687
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49372205
LogD (pH = 7.4)
0.9365115
Log P
0.96906054
Molar Refractivity
60.8223
Polarizability
19.874823
Polar Surface Area
38.05
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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