Molecule

ID:48379

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClF₃N₂
Molecular Mass
278.7011696
Exact Mass
278.0797608
Charge
0
InChI
InChI=1S/C12H14ClF3N2/c1-8-4-2-3-5-18(8)11-10(13)6-9(7-17-11)12(14,15)16/h6-8H,2-5H2,1H3
InChIKey
RJBHEURAJMQMTP-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(N2C(C)CCCC2)ncc(C(F)(F)F)cc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2025867
LogD (pH = 7.4)
4.2068543
Log P
4.206909
Molar Refractivity
65.9825
Polarizability
23.969542
Polar Surface Area
16.13
Rotatable Bonds
2
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