Molecule

ID:34924

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉FN₂O
Molecular Mass
250.3118632
Exact Mass
250.14814146
Charge
0
InChI
InChI=1S/C14H19FN2O/c1-11(18)17-8-6-14(7-9-17)16-10-12-2-4-13(15)5-3-12/h2-5,14,16H,6-10H2,1H3
InChIKey
FDCNRTNMLPCSNN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)NCc1ccc(cc1)F
Isomeric Smiles
N1(C(=O)C)CCC(NCc2ccc(F)cc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2581565
LogD (pH = 7.4)
-1.2407507
Log P
0.92799705
Molar Refractivity
69.2447
Polarizability
26.719881
Polar Surface Area
32.34
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