Molecule

ID:129279

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₆
Molecular Mass
349.37832
Exact Mass
349.15253746
Charge
0
InChI
InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/t14-,15-,18-/m1/s1
InChIKey
SVCNNZDUGWLODJ-IIDMSEBBSA-N
Canonic Smiles
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3
Isomeric Smiles
[C@H]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)/CC(=C)[C@](C(=O)OC3)(O)CO
Calculated Properties
JChem
Acid pKa
11.107378
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.3128548
LogD (pH = 7.4)
0.13843654
Log P
0.32726055
Molar Refractivity
90.6508
Polarizability
35.3317
Polar Surface Area
96.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation