Molecule

ID:36067

General Information
Structure
Molecular Formula
C₁₄H₁₅ClN₂O₄
Molecular Mass
310.7329
Exact Mass
310.07203465
Charge
0
InChI
InChI=1S/C14H15ClN2O4/c1-3-21-14(19)13-12(17-11(18)7-15)9-6-8(20-2)4-5-10(9)16-13/h4-6,16H,3,7H2,1-2H3,(H,17,18)
InChIKey
ILEXPWNOAWOOOE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1NC(=O)CCl)cc(cc2)OC
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)NC(=O)CCl)C(=O)OCC)OC
Calculated Properties
JChem
Acid pKa
10.810209
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.619675
LogD (pH = 7.4)
2.6195247
Log P
2.6196768
Molar Refractivity
79.8753
Polarizability
31.063704
Polar Surface Area
80.42
Rotatable Bonds
6
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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