Molecule
ID:79133
General Information
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKey
NXDXMSTXCYCUGG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(C)cccc1C
Isomeric Smiles
O=C(c1c(cccc1C)C)N
Calculated Properties
JChem
Acid pKa
15.206041
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8507285
LogD (pH = 7.4)
1.8507289
Log P
1.8507289
Molar Refractivity
45.2188
Polarizability
16.687534
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
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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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