Molecule

ID:69122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
InChIKey
KEZHRKOVLKUYCQ-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1(C)C)cccc2
Isomeric Smiles
N1C(=O)C(c2ccccc12)(C)C
Calculated Properties
JChem
Acid pKa
13.267366
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1710508
LogD (pH = 7.4)
2.1710503
Log P
2.1710508
Molar Refractivity
48.6604
Polarizability
18.156881
Polar Surface Area
29.1
Rotatable Bonds
0
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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