Molecule
ID:60120
General Information
Molecular Formula
C₁₉H₁₈FNO
Molecular Mass
295.3507232
Exact Mass
295.13724242
Charge
0
InChI
InChI=1S/C19H18FNO/c1-21(2)19(15-9-5-6-10-16(15)20)18-14-8-4-3-7-13(14)11-12-17(18)22/h3-12,19,22H,1-2H3
InChIKey
JNTFIELVHJRPAH-UHFFFAOYSA-N
Canonic Smiles
CN(C(c1c(O)ccc2c1cccc2)c1ccccc1F)C
Isomeric Smiles
c1ccc2c(c1)c(c(cc2)O)C(N(C)C)c1c(cccc1)F
Calculated Properties
JChem
Acid pKa
7.8718376
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7489401
LogD (pH = 7.4)
3.4322994
Log P
3.7650511
Molar Refractivity
87.531
Polarizability
34.76302
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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