Molecule

ID:17412

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀FNO
Molecular Mass
249.3238032
Exact Mass
249.15289249
Charge
0
InChI
InChI=1S/C15H20FNO/c16-12-6-4-11(5-7-12)14-13-3-1-2-8-15(13,18)9-10-17-14/h4-7,13-14,17-18H,1-3,8-10H2
InChIKey
DQJVTBCKCFMOEZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1NCCC2(C1CCCC2)O
Isomeric Smiles
C1(C2C(CCN1)(CCCC2)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.452219
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.78866786
LogD (pH = 7.4)
0.55353844
Log P
2.3153887
Molar Refractivity
69.2943
Polarizability
27.236248
Polar Surface Area
32.26
Rotatable Bonds
1
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