Molecule

ID:21208

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₅
Molecular Mass
347.4055
Exact Mass
347.17327291
Charge
0
InChI
InChI=1S/C19H25NO5/c1-5-8-13-9-6-7-10-16(13)24-14-11-15(17(21)22)20(12-14)18(23)25-19(2,3)4/h5-7,9-10,14-15H,1,8,11-12H2,2-4H3,(H,21,22)/t14-,15-/m0/s1
InChIKey
VAWBHMZSAODRNW-GJZGRUSLSA-N
Canonic Smiles
C=CCc1ccccc1O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1c(CC=C)cccc1
Calculated Properties
JChem
Acid pKa
3.8161023
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7844316
LogD (pH = 7.4)
0.21616271
Log P
3.4710765
Molar Refractivity
92.9245
Polarizability
36.40964
Polar Surface Area
76.07
Rotatable Bonds
7
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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