Molecule
ID:65843
General Information
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKey
OABGZRFNYNFHCS-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccccc1C
Isomeric Smiles
c1cccc(c1C)C(=O)NC
Calculated Properties
JChem
Acid pKa
15.246952
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5609833
LogD (pH = 7.4)
1.5609835
Log P
1.5609835
Molar Refractivity
45.0743
Polarizability
16.764153
Polar Surface Area
29.1
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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