Molecule

ID:129107

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀FNO₃
Molecular Mass
271.2432032
Exact Mass
271.06447141
Charge
0
InChI
InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,17-18H,1H2
InChIKey
FCXYSEXZEGPLGG-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(O)cc2c1o/c(=C/1\C=CC(=O)C(=C1)F)/[nH]2
Isomeric Smiles
O=C1C=C/C(=c/2\oc3c(cc(O)cc3[nH]2)C=C)/C=C1F
Calculated Properties
JChem
Acid pKa
9.335386
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.7364755
LogD (pH = 7.4)
2.7315562
Log P
2.7365386
Molar Refractivity
86.0788
Polarizability
26.765776
Polar Surface Area
58.56
Rotatable Bonds
1
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
References
Bioactivity
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