Molecule
ID:60111
General Information
Molecular Formula
C₇H₉NO₃
Molecular Mass
155.15126
Exact Mass
155.05824315
Charge
0
InChI
InChI=1S/C7H9NO3/c1-7(8,6(9)10)5-3-2-4-11-5/h2-4H,8H2,1H3,(H,9,10)
InChIKey
FKVAWEVSZYLWIO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccco1)(N)C
Isomeric Smiles
o1c(ccc1)C(N)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
1.819482
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9747764
LogD (pH = 7.4)
-2.1266239
Log P
-1.9733124
Molar Refractivity
37.4655
Polarizability
14.817408
Polar Surface Area
76.46
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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