Molecule

ID:21031

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO
Molecular Mass
181.2067832
Exact Mass
181.09029223
Charge
0
InChI
InChI=1S/C10H12FNO/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChIKey
VBCSXAGXHQORMV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OC1CNCC1
Isomeric Smiles
c1(OC2CCNC2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6863436
LogD (pH = 7.4)
-1.1529404
Log P
1.5420749
Molar Refractivity
48.0286
Polarizability
18.829048
Polar Surface Area
21.26
Rotatable Bonds
2
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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