Molecule
ID:65532
General Information
Molecular Formula
C₁₀H₁₂ClNO₄
Molecular Mass
245.65958
Exact Mass
245.04548555
Charge
0
InChI
InChI=1S/C10H12ClNO4/c1-13-10(14-2)7-6(11)5-12-9-8(7)15-3-4-16-9/h5,10H,3-4H2,1-2H3
InChIKey
MFZAXAGRAFMJGA-UHFFFAOYSA-N
Canonic Smiles
COC(c1c(Cl)cnc2c1OCCO2)OC
Isomeric Smiles
c1(cnc2c(c1C(OC)OC)OCCO2)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6218823
LogD (pH = 7.4)
1.6218873
Log P
1.6218874
Molar Refractivity
57.325
Polarizability
22.67228
Polar Surface Area
49.81
Rotatable Bonds
3
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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