Molecule

ID:56700

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉ClO₂
Molecular Mass
302.79526
Exact Mass
302.10735753
Charge
0
InChI
InChI=1S/C18H19ClO2/c1-13(17(19)20)21-16-11-9-15(10-12-16)18(2,3)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey
WYXOCFRLAKSQBU-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Cl)Oc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(OC(C(=O)Cl)C)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.074512
LogD (pH = 7.4)
5.074512
Log P
5.074512
Molar Refractivity
96.2135
Polarizability
33.494263
Polar Surface Area
26.3
Rotatable Bonds
5
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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