Molecule
ID:79132
General Information
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H2,11,12)
InChIKey
QQAUZRKAWHZNCH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(C)cc(cc1C)C
Isomeric Smiles
O=C(c1c(cc(cc1C)C)C)N
Calculated Properties
JChem
Acid pKa
15.439411
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3641498
LogD (pH = 7.4)
2.3641503
Log P
2.3641503
Molar Refractivity
50.26
Polarizability
18.45251
Polar Surface Area
43.09
Rotatable Bonds
1
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
No Data Available
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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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