Molecule

ID:112089

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₇CrO₆
Molecular Mass
535.52788
Exact Mass
535.12127108
Charge
0
InChI
InChI=1S/3C10H10O2.Cr/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7,11H,1H3;/q;;;+3/p-3
InChIKey
HSJUSPRRFFAVGQ-UHFFFAOYSA-K
Canonic Smiles
C/C(=C/C(=O)c1ccccc1)/O[Cr](O/C(=C/C(=O)c1ccccc1)/C)O/C(=C/C(=O)c1ccccc1)/C
Isomeric Smiles
C/C(=C\C(=O)c1ccccc1)/O[Cr](O/C(=C/C(=O)c1ccccc1)/C)O/C(=C\C(=O)c1ccccc1)/C
Calculated Properties
JChem
Acid pKa
16.100132
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.2343
LogD (pH = 7.4)
3.2343
Log P
3.2343
Molar Refractivity
143.0727
Polarizability
56.348232
Polar Surface Area
78.9
Rotatable Bonds
12
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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