Molecule

ID:86944

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChIKey
INGCXEIJXKQPJH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(c(c1)C)C
Isomeric Smiles
O=C(c1cc(c(cc1)C)C)N
Calculated Properties
JChem
Acid pKa
14.871941
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.850728
LogD (pH = 7.4)
1.8507289
Log P
1.8507289
Molar Refractivity
45.2188
Polarizability
16.685596
Polar Surface Area
43.09
Rotatable Bonds
1
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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