Molecule

ID:30602

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂
Molecular Mass
222.3017632
Exact Mass
222.15322684
Charge
0
InChI
InChI=1S/C13H19FN2/c14-12-6-4-11(5-7-12)13(10-15)16-8-2-1-3-9-16/h4-7,13H,1-3,8-10,15H2
InChIKey
UVIGGJRPXIOCTF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)F)N1CCCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)F)CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.632294
LogD (pH = 7.4)
0.47244143
Log P
2.1704938
Molar Refractivity
64.5791
Polarizability
25.188374
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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