Molecule

ID:56204

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c1-12-7-13(2)9-17(8-12)24-16-5-3-15(4-6-16)20-11-14(19(22)23)10-18(20)21/h3-9,14H,10-11H2,1-2H3,(H,22,23)
InChIKey
HRMHHNNXVGSQJJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Oc2ccc(cc2)N2CC(CC2=O)C(=O)O)cc(c1)C
Isomeric Smiles
O(c1ccc(N2CC(CC2=O)C(=O)O)cc1)c1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
3.6034176
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3157463
LogD (pH = 7.4)
-0.1340367
Log P
3.207807
Molar Refractivity
89.3413
Polarizability
34.376423
Polar Surface Area
66.84
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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