Molecule

ID:28793

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄FN
Molecular Mass
251.2981632
Exact Mass
251.11102767
Charge
0
InChI
InChI=1S/C17H14FN/c18-15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19H,12H2
InChIKey
CECUKOYBDUQJSW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNc1cccc2c1cccc2
Isomeric Smiles
N(c1c2c(ccc1)cccc2)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.298881
LogD (pH = 7.4)
4.3026276
Log P
4.3026757
Molar Refractivity
77.531
Polarizability
30.115433
Polar Surface Area
12.03
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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