Molecule

ID:100111

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKey
ADUCMSHWWWCKEK-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OC1CCNCC1
Isomeric Smiles
N1CCC(CC1)Oc1cccc(c1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6053641
LogD (pH = 7.4)
-0.76104546
Log P
1.6020347
Molar Refractivity
52.894
Polarizability
20.665356
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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