Molecule

ID:129967

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₅
Molecular Mass
345.38962
Exact Mass
345.15762284
Charge
0
InChI
InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1
InChIKey
RGVPOXRFEPSFGH-AWEZNQCLSA-N
Canonic Smiles
COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC
Isomeric Smiles
O(c1cc(cc(OC)c1OC)C[C@H]1c2c(cc(O)c(O)c2)CCN1)C
Calculated Properties
JChem
Acid pKa
9.612231
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-0.45234117
LogD (pH = 7.4)
1.0432743
Log P
2.1296573
Molar Refractivity
95.0048
Polarizability
36.700867
Polar Surface Area
80.18
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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