Molecule

ID:112403

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKey
AJLHOOOTXXVJCZ-UHFFFAOYSA-N
Canonic Smiles
O=CNc1c(C)cccc1C
Isomeric Smiles
Cc1cccc(C)c1NC=O
Calculated Properties
JChem
Acid pKa
15.662239
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1891003
LogD (pH = 7.4)
2.1891003
Log P
2.1891003
Molar Refractivity
46.5129
Polarizability
16.895174
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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