Molecule
ID:88974
General Information
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
ZXOVAGUQXNXKHF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1NC(=O)C
Isomeric Smiles
N(c1c(cccc1)CC)C(=O)C
Calculated Properties
JChem
Acid pKa
14.466853
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1689463
LogD (pH = 7.4)
2.1689463
Log P
2.1689463
Molar Refractivity
50.5632
Polarizability
18.816032
Polar Surface Area
29.1
Rotatable Bonds
2
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
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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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