Molecule

ID:84997

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₇ClO₃
Molecular Mass
376.83228
Exact Mass
376.08662208
Charge
0
InChI
InChI=1S/C23H17ClO3/c24-18-13-11-16(12-14-18)20-22(26-20)23(17-9-5-2-6-10-17)21(27-23)19(25)15-7-3-1-4-8-15/h1-14,20-22H/t20-,21+,22+,23-/m1/s1
InChIKey
NGHPGSNFXORNTN-WZYRSQIMSA-N
Canonic Smiles
Clc1ccc(cc1)[C@H]1O[C@@H]1[C@@]1(O[C@H]1C(=O)c1ccccc1)c1ccccc1
Isomeric Smiles
O1[C@@]([C@H]2O[C@@H]2c2ccc(cc2)Cl)([C@@H]1C(=O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.667486
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.3347635
LogD (pH = 7.4)
5.334763
Log P
5.3347635
Molar Refractivity
102.6952
Polarizability
40.54984
Polar Surface Area
42.13
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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