Molecule

ID:65706

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₃
Molecular Mass
256.68552
Exact Mass
256.06146997
Charge
0
InChI
InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-7-4-5-9(12)13-8(7)6-15/h4-6H,1-3H3,(H,14,16)
InChIKey
FODPXVHIRZYSDA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)OC(C)(C)C)C=O)Cl
Calculated Properties
JChem
Acid pKa
11.936454
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.8778017
LogD (pH = 7.4)
2.8777897
Log P
2.877802
Molar Refractivity
66.2582
Polarizability
24.453403
Polar Surface Area
68.29
Rotatable Bonds
4
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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