Molecule

ID:17696

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3
InChIKey
KJCGVGWCEJJQSW-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc2c(o1)cccc2)N
Isomeric Smiles
c12c(oc(c1)C(C)N)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.96992797
LogD (pH = 7.4)
0.6954405
Log P
1.5947138
Molar Refractivity
47.6688
Polarizability
19.970928
Polar Surface Area
39.16
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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