Molecule

ID:69141

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FO
Molecular Mass
216.2508232
Exact Mass
216.09504326
Charge
0
InChI
InChI=1S/C14H13FO/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,10,16H,8-9H2
InChIKey
HLVFZMCPTFRGQK-UHFFFAOYSA-N
Canonic Smiles
OCCc1cccc(c1)c1ccc(cc1)F
Isomeric Smiles
C(Cc1cc(ccc1)c1ccc(cc1)F)O
Calculated Properties
JChem
Acid pKa
15.871424
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2844846
LogD (pH = 7.4)
3.2844846
Log P
3.2844846
Molar Refractivity
62.9815
Polarizability
25.164513
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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