Molecule

ID:119553

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₄
Molecular Mass
329.39022
Exact Mass
329.16270822
Charge
0
InChI
InChI=1S/C19H23NO4/c1-11(2)13-5-3-12(4-6-13)9-20-10-19-8-7-14(24-19)15(18(22)23)16(19)17(20)21/h3,7-8,13-16H,1,4-6,9-10H2,2H3,(H,22,23)/t13-,14-,15?,16?,19-/m1/s1
InChIKey
GHIGRDADUISATB-AAERBBOYSA-N
Canonic Smiles
CC(=C)[C@H]1CCC(=CC1)CN1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)C(=O)O
Isomeric Smiles
C12[C@]3(O[C@H](C2C(=O)O)C=C3)CN(C1=O)CC1=CC[C@@H](C(=C)C)CC1
Calculated Properties
JChem
Acid pKa
4.1596694
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.25622085
LogD (pH = 7.4)
-1.4473411
Log P
1.6131476
Molar Refractivity
89.9452
Polarizability
34.518562
Polar Surface Area
66.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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