Molecule

ID:89671

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₂O
Molecular Mass
446.53788
Exact Mass
446.16706532
Charge
0
InChI
InChI=1S/C34H22O/c1-3-21-7-9-25-11-13-27(29-17-15-23(5-1)31(21)33(25)29)19-35-20-28-14-12-26-10-8-22-4-2-6-24-16-18-30(28)34(26)32(22)24/h1-18H,19-20H2
InChIKey
KDWSQWLDGXGQTK-UHFFFAOYSA-N
Canonic Smiles
O(Cc1ccc2c3c1ccc1c3c(cc2)ccc1)Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
O(Cc1c2ccc3cccc4c3c2c(cc1)cc4)Cc1ccc2ccc3cccc4c3c2c1cc4
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.194859
LogD (pH = 7.4)
8.194859
Log P
8.194859
Molar Refractivity
143.5669
Polarizability
63.433323
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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