Molecule

ID:123771

General Information
Structure
Molecular Formula
C₁₅H₁₅FN₂O
Molecular Mass
258.2908032
Exact Mass
258.11684133
Charge
0
InChI
InChI=1S/C15H15FN2O/c16-13-7-6-12(10-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,17H2,(H,18,19)
InChIKey
GMTXSUVTCFBKTG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)F)NCCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(c(cc1)F)N)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.904397
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3744338
LogD (pH = 7.4)
2.374472
Log P
2.3744724
Molar Refractivity
74.3175
Polarizability
27.232145
Polar Surface Area
55.12
Rotatable Bonds
4
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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