Molecule
ID:134921
General Information
Molecular Formula
C₃₅H₂₇CoO₂
Molecular Mass
538.52088
Exact Mass
538.1343001
Charge
0
InChI
InChI=1S/C28H20.C7H7O2.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-9-7(8)6-4-2-3-5-6;/h1-20H;2-5H,1H3;/q-2;-1;+3
InChIKey
HFPPVTQKDSKEOO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)[C-]1[C-](c2ccccc2)C(=C1c1ccccc1)c1ccccc1.COC(=O)C1=C[CH-]C=C1.[Co+3]
Isomeric Smiles
COC(=O)C1=C[CH-]C=C1.c1ccc(cc1)[C-]1C(=C([C-]1c1ccccc1)c1ccccc1)c1ccccc1.[Co+3]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.379484
LogD (pH = 7.4)
0.379484
Log P
7.2897964
Molar Refractivity
117.5046
Polarizability
46.03603
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
No Data Available
Click here to submit data
Bioactivity