Molecule

ID:47856

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁FN₂
Molecular Mass
236.3283432
Exact Mass
236.1688769
Charge
0
InChI
InChI=1S/C14H21FN2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3
InChIKey
HAFHQUWVGOUHLZ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1F)N)C1CCCCC1
Isomeric Smiles
c1(N(C2CCCCC2)CC)c(cc(cc1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4339
LogD (pH = 7.4)
3.5494504
Log P
3.5511441
Molar Refractivity
71.1662
Polarizability
26.259789
Polar Surface Area
29.26
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