Molecule

ID:40404

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂
Molecular Mass
190.2168432
Exact Mass
190.09062658
Charge
0
InChI
InChI=1S/C11H11FN2/c1-14(2)8-10(7-13)9-3-5-11(12)6-4-9/h3-6,8H,1-2H3/b10-8+
InChIKey
UPUOACPCFNKEMQ-CSKARUKUSA-N
Canonic Smiles
CN(/C=C(/c1ccc(cc1)F)\C#N)C
Isomeric Smiles
C(=C\N(C)C)(/c1ccc(cc1)F)\C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1483932
LogD (pH = 7.4)
2.156286
Log P
2.1563876
Molar Refractivity
54.6437
Polarizability
19.98848
Polar Surface Area
27.03
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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