Molecule

ID:98907

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FN
Molecular Mass
167.2232632
Exact Mass
167.11102767
Charge
0
InChI
InChI=1S/C10H14FN/c1-3-10(12-2)8-6-4-5-7-9(8)11/h4-7,10,12H,3H2,1-2H3
InChIKey
NGXDFLHOSGQZQP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1F)NC
Isomeric Smiles
N(C)C(c1ccccc1F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.480659
LogD (pH = 7.4)
0.88548917
Log P
2.613394
Molar Refractivity
48.4652
Polarizability
18.864363
Polar Surface Area
12.03
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