Molecule

ID:99101

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₂
Molecular Mass
230.2343432
Exact Mass
230.07430781
Charge
0
InChI
InChI=1S/C14H11FO2/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9,16H,8H2
InChIKey
UJPHDMQSTCOYTM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)Cc1ccccc1)O
Isomeric Smiles
O=C(c1cc(ccc1O)F)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
9.835388
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8543499
LogD (pH = 7.4)
3.8527906
Log P
3.8543699
Molar Refractivity
63.38
Polarizability
23.916397
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation