Molecule

ID:13599

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FN
Molecular Mass
165.2073832
Exact Mass
165.09537761
Charge
0
InChI
InChI=1S/C10H12FN/c1-2-7-12-8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2
InChIKey
RGDCZMFWIHVJIT-UHFFFAOYSA-N
Canonic Smiles
C=CCNCc1ccccc1F
Isomeric Smiles
C(c1c(cccc1)F)NCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.25318468
LogD (pH = 7.4)
1.4655893
Log P
2.4055464
Molar Refractivity
48.6851
Polarizability
18.625233
Polar Surface Area
12.03
Rotatable Bonds
4
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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