Molecule

ID:111557

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3
InChIKey
PXCIPOXPHMTCIL-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(c2c1cccc2)(c1cc(C)c(cc1C)O)c1cc(C)c(cc1C)O
Isomeric Smiles
Cc1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C)c(O)cc1C
Calculated Properties
JChem
Acid pKa
9.619714
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
6.4069543
LogD (pH = 7.4)
6.4043865
Log P
6.406987
Molar Refractivity
111.2021
Polarizability
41.452374
Polar Surface Area
66.76
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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