Molecule

ID:127017

General Information
Structure
MolImage
Molecular Formula
C₃₁H₂₄O₃
Molecular Mass
444.52046
Exact Mass
444.17254463
Charge
0
InChI
InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2
InChIKey
NZOWVZVFSVRNOR-UHFFFAOYSA-N
Canonic Smiles
Oc1oc2ccccc2c(=O)c1C1CC(Cc2c1cccc2)c1ccc(cc1)c1ccccc1
Isomeric Smiles
C1C(Cc2ccccc2C1c1c(oc2ccccc2c1=O)O)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.194762
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.627841
LogD (pH = 7.4)
7.564125
Log P
7.628717
Molar Refractivity
143.7881
Polarizability
52.93639
Polar Surface Area
46.53
Rotatable Bonds
3
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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