Molecule
ID:41090
General Information
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-7-4-3-5-9-8(2)6-10(13)12-11(7)9/h3-6H,1-2H3,(H,12,13)
InChIKey
NJUAEGGYLOZMGV-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(C)c2c(n1)c(C)ccc2
Isomeric Smiles
c12nc(cc(c1cccc2C)C)O
Calculated Properties
JChem
Acid pKa
12.319824
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4486325
LogD (pH = 7.4)
3.4486303
Log P
3.4486353
Molar Refractivity
52.3561
Polarizability
21.125315
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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