Molecule

ID:33369

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-6,12H,7H2,1H3
InChIKey
HRDMALIGWIPQLM-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1ccn2C
Isomeric Smiles
n1(c2c(cc1)c(CO)ccc2)C
Calculated Properties
JChem
Acid pKa
15.111916
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5283341
LogD (pH = 7.4)
1.5283341
Log P
1.5283341
Molar Refractivity
48.8571
Polarizability
19.796322
Polar Surface Area
25.16
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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