Molecule
ID:120003
General Information
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c11-8-4-2-1-3-7(8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKey
OCZQPOVJWVLQOT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC(=O)c1ccccc1N
Isomeric Smiles
c1(C(=O)NCCC(=O)O)c(N)cccc1
Calculated Properties
JChem
Acid pKa
4.2990904
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.7176144
LogD (pH = 7.4)
-2.4341803
Log P
0.3318837
Molar Refractivity
55.5175
Polarizability
20.397287
Polar Surface Area
92.42
Rotatable Bonds
4
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
No Data Available
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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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