Molecule

ID:60667

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅NO₇
Molecular Mass
439.4578
Exact Mass
439.16310215
Charge
0
InChI
InChI=1S/C24H25NO7/c1-12-11-24(2,3)25-19-15(12)9-14(10-16(19)20(26)22(25)27)32-23(28)13-7-17(29-4)21(31-6)18(8-13)30-5/h7-10,12H,11H2,1-6H3
InChIKey
IQYQGIUXFHKJQN-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cc(cc1OC)C(=O)Oc1cc2C(C)CC(N3c2c(c1)C(=O)C3=O)(C)C
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(CC2(C)C)C)cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)c3
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.472659
LogD (pH = 7.4)
3.472659
Log P
3.472659
Molar Refractivity
116.2996
Polarizability
44.60648
Polar Surface Area
91.37
Rotatable Bonds
6
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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