Molecule

ID:50906

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FN
Molecular Mass
165.2073832
Exact Mass
165.09537761
Charge
0
InChI
InChI=1S/C10H12FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
OADZVVBVXBBMPW-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C1CCCN1
Isomeric Smiles
c1(C2NCCC2)cc(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0924941
LogD (pH = 7.4)
-0.6571805
Log P
2.139861
Molar Refractivity
46.7336
Polarizability
18.13497
Polar Surface Area
12.03
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