Molecule

ID:120001

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c11-8-3-1-2-7(6-8)10(15)12-5-4-9(13)14/h1-3,6H,4-5,11H2,(H,12,15)(H,13,14)
InChIKey
VNZAGAZKYMGRFG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.400177
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.382668
LogD (pH = 7.4)
-3.090042
Log P
-0.4248203
Molar Refractivity
55.5175
Polarizability
20.396276
Polar Surface Area
92.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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