Molecule

ID:102302

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅NO₅
Molecular Mass
371.4269
Exact Mass
371.17327291
Charge
0
InChI
InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey
ZAVSPTOJKOFMTA-SFHVURJKSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7441936
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3804061
LogD (pH = 7.4)
0.8493892
Log P
4.136514
Molar Refractivity
101.0651
Polarizability
39.58722
Polar Surface Area
84.86
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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