Molecule

ID:19488

General Information
Structure
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c1-17-13-5-2-10(3-6-13)11-4-7-14(15)12(8-11)9-16/h2-8H,9,16H2,1H3
InChIKey
TYAFOLIQMWDDMC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(c(c1)CN)F
Isomeric Smiles
c1(cc(c2ccc(cc2)OC)ccc1F)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16593824
LogD (pH = 7.4)
1.1669003
Log P
2.7312703
Molar Refractivity
66.3472
Polarizability
26.819456
Polar Surface Area
35.25
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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