Molecule

ID:77271

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKey
HLFYJILNIBADGG-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)ccc(n2)C
Isomeric Smiles
n1c2ccc(cc2ccc1C)CO
Calculated Properties
JChem
Acid pKa
14.9543495
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3516952
LogD (pH = 7.4)
1.4927771
Log P
1.4949208
Molar Refractivity
51.3867
Polarizability
21.215466
Polar Surface Area
33.12
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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