Molecule

ID:47523

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂O₅
Molecular Mass
392.83344
Exact Mass
392.11389946
Charge
0
InChI
InChI=1S/C19H21ClN2O5/c1-19(2,3)27-18(25)22-10-11(9-14(22)17(23)24)26-15-7-6-13(20)12-5-4-8-21-16(12)15/h4-8,11,14H,9-10H2,1-3H3,(H,23,24)/t11-,14-/m0/s1
InChIKey
VZFDILBIBFZFIF-FZMZJTMJSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(c2c1nccc2)Cl)OC(C)(C)C
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1ccc(c2c1nccc2)Cl
Calculated Properties
JChem
Acid pKa
3.7304583
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.3485712
LogD (pH = 7.4)
-0.16561365
Log P
3.008474
Molar Refractivity
97.3633
Polarizability
39.640003
Polar Surface Area
88.96
Rotatable Bonds
5
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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